TRIMETHOPRIM

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J01EA01
UNII AN164J8Y0X
EPA CompTox DTXSID3023712

Structure

InChI Key IEDVJHCEMCRBQM-UHFFFAOYSA-N
Smiles COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
InChI
InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H18N4O3
Molecular Weight 290.32
AlogP 1.26
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 105.51
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Bioactivity

Mechanism of Action Action Reference
Bacterial dihydrofolate reductase inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 7-33100 - 1-1729 22-22
Enzyme
- 7-33100 - 1-1729 22-22
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 19-97
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 50680-56800 - - 58
Assay Description Organism Bioactivity Reference
Affinity constant KD value was derived from TMP None 1.0
Inhibition of beta-lactamase at 100 uM None 5.0 %
Inhibition of chymotrypsin at 250 uM unidentified 5.0 %
In vitro inhibition of dihydrofolate reductase of Escherichia coli Escherichia coli 6.0 nM
In vitro inhibition of dihydrofolate reductase of Plasmodium berghei Plasmodium berghei 120.0 nM
Antibacterial activity against Staphylococcus aureus Staphylococcus aureus 5.1 nM
Binding affinity was reported with purified recombinant Pneumocystis carinii Dihydrofolate reductase Pneumocystis carinii 152.0 nM
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii. Pneumocystis carinii 151.36 nM
Antibacterial activity against TMP-Resistant Dihydrofolate reductase from Staphylococcus aureus 157/4696 Staphylococcus aureus 27.0 nM
Inhibition of Staphylococcus aureus dihydrofolate reductase (DHFR) enzyme by Iclaprim Staphylococcus aureus 7.0 nM
Inhibitory activity against TMP-susceptible DHFR from Staphylococcus pneumoniae ATCC 49619 Staphylococcus 75.0 nM
Inhibition of Streptococcus pneumoniae dihydrofolate reductase (DHFR) enzyme by Iclaprim Streptococcus pneumoniae 75.0 nM
Inhibitory activity against recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR) Toxoplasma gondii 7.2 nM
Inhibition of recombinant Dihydrofolate reductase from humans. Trypanosoma brucei 10.0 nM
Inhibitory activity against Dihydrofolate reductase in chicken Gallus gallus 0.0076 nM
Concentration required to inhibit the human Dihydrofolate reductase by 50% was determined (reported by workers at Hoffman-LaRoche) None 900.0 nM
Inhibitory activity against Dihydrofolate reductase from recombinant human (hDHFR) None 54.0 nM
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli Escherichia coli 7.0 nM
Inhibitory activity against Dihydrofolate reductase of Escherichia coli Escherichia coli 5.0 nM
Inhibition against dihydrofolate reductase enzyme of Escherichia coli Escherichia coli 5.0 nM
In vitro inhibition of Escherichia coli dihydrofolate reductase. Escherichia coli 5.0 nM
Inhibitory activity against Dihydrofolate reductase enzyme purified from Escherichia coli Escherichia coli 5.0 nM
Inhibitory activity to dihydrofolate reductase in Escherichia coli None 500.0 nM
Inhibitory activity against Dihydrofolate reductase in Escherichia coli Escherichia coli 5.0 nM
Inhibitory activity against Dihydrofolate reductase in Escherichia coli None 5e-08 nM
Inhibitory activity against Dihydrofolate reductase obtained from E. coli; Range 0.005-0.007 Escherichia coli 5.0 nM
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli Escherichia coli 5.0 nM
Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Escherichia coli Candida albicans 2.2 nM
Inhibition of human dihydrofolate reductase (DHFR) enzyme None 194.98 nM
Compound was evaluated as inhibitor of Escherichia coli Dihydrofolate reductase Escherichia coli 15.0 nM
Inhibition of Escherichia coli dihydrofolate reductase (DHFR) enzyme by Iclaprim Escherichia coli 7.0 nM
Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR) Escherichia coli 18.0 nM
Inhibition of Escherichia coli Dihydrofolate reductase in presence of 100 uM Dihydrofolate reductase Escherichia coli 37.0 nM
Inhibition of Escherichia coli Dihydrofolate reductase in presence of 30 uM Dihydrofolate reductase Escherichia coli 18.0 nM
Relative Binding affinity against Dihydrofolate reductase of Escherichia coli Escherichia coli 1.0
Antibacterial activity against Escherichia coli Escherichia coli 1.3 nM
Binding affinity against Dihydrofolate reductase of Escherichia coli Escherichia coli 1.3 nM
Binding affinity for Escherichia coli Dihydrofolate reductase Escherichia coli 1.3 nM
Inhibition constant against Dihydrofolate reductase Escherichia coli 3.8 nM
Apparent binding affinity against Dihydrofolate reductase in Escherichia coli Escherichia coli 1.3 nM
Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase. Escherichia coli 5.888 nM
Inhibitory activity against Escherichia coli dihydrofolate reductase Salmonella enterica subsp. enterica serovar Typhi str. CT18 8.318 nM Inhibitory activity against Escherichia coli dihydrofolate reductase Salmonella enterica subsp. enterica serovar Typhi str. CT18 8.318 nM
Inhibition constant against binding of Escherichia coli dihydrofolate reductase Escherichia coli 1.349 nM
Inhibitory activity against Dihydrofolate reductase in Neisseria gonorrhoeae Escherichia coli 450.0 nM
Inhibitory activity against Escherichia coli dihydrofolate reductase at 10e8 M Escherichia coli 7.0 nM
Inhibitory activity against Escherichia coli (ec) Dihydrofolate reductase Escherichia coli 20.0 nM
Inhibitory activity against Dihydrofolate reductase from Lactobacillus casei Lactobacillus casei 103.0 nM
Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range: 260-350 Mycobacterium avium 300.0 nM
Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined (reported by workers at Hoffman-LaRoche) Pneumocystis carinii 46.0 nM
Compound was evaluated as inhibitor of Lactobacillus casei Dihydrofolate reductase Lactobacillus casei 620.0 nM
Inhibitory activity against Dihydrofolate reductase from Lactobacillus casei (lcDHFR) Lactobacillus casei 54.0 nM
Inhibitory activity against Lactobacillus casei dihydrofolate reductase Lactobacillus casei 131.83 nM
Inhibitory activity against Dihydrofolate reductase in rat liver None 0.0026 nM
Inhibition of recombinant Dihydrofolate reductase from Leishmania major. Leishmania major 120.0 nM
Inhibition of partially purified dihydrofolate reductase (DHFR) from Mycobacterium avium (Ma) Mycobacterium avium 190.0 nM
Inhibition of Dihydrohydrofolate reductase(DHFR) of Mycobacterium avium Mycobacterium avium 300.0 nM
Inhibitory activity against DHFR (Dihydrofolate reductase) from Mycobacterium avium Mycobacterium avium 190.0 nM
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium Mycobacterium avium 300.0 nM
Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Mycobacterium lufu Candida albicans 270.0 nM
Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea Neisseria gonorrhoeae 450.0 nM
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae Lactobacillus casei 450.0 nM
In vitro inhibition of dihydrofolate reductase of Neisseria gonorrhoeae Neisseria gonorrhoeae 450.0 nM
Inhibition of Neisseria gonorrhoeae Dihydrofolate reductase(DHFR) Neisseria gonorrhoeae 450.0 nM
Inhibitory activity against Dihydrofolate reductase in Neisseria gonorrhoeae Neisseria gonorrhoeae 450.0 nM
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Neisseria gonorrhoeae Neisseria gonorrhoeae 450.0 nM
Inhibitory activity against Neisseria gonorrhoeae dihydrofolate reductase at 10e8 M Neisseria gonorrhoeae 450.0 nM
Inhibitory activity against Dihydrofolate reductase enzyme purified from Plasmodium berghei. Plasmodium berghei 120.0 nM
Compound was tested for its inhibition against dihydrofolate reductase enzyme of Plasmodium berghei Plasmodium berghei 120.0 nM
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Plasmodium berghei Plasmodium berghei 120.0 nM
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei Plasmodium berghei 120.0 nM
Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR) Plasmodium falciparum 242.1 nM
Inhibition of the S108N mutant of dihydrofolate reductase (DHFR) Plasmodium falciparum 132.3 nM
Inhibition of the wild-type dihydrofolate reductase (DHFR) Plasmodium falciparum 10.3 nM
Inhibitory activity against double mutant dihydrofolate reductase (C59R+S108N DHFR) Plasmodium falciparum 242.1 nM
Inhibitory concentration against Lactobacillus casei Lactobacillus casei 103.0 nM
Inhibition of malate dehydrogenase (MDH) at 400 uM None 5.0 %
Inhibitory concentration against Pneumocystis carinii cells in human embryonic lung fibrobalstic cell culture with MEM at 50 ug/mL Pneumocystis carinii 84.0 %
Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR) Plasmodium falciparum 10.3 nM
Inhibitory concentration against Mycobacterium avium DHFR Mycobacterium avium 300.0 nM
Inhibition of Plasmodium falciparum DHFR Plasmodium falciparum 10.0 nM
Inhibition of Escherichia coli DHFR Escherichia coli 20.0 nM
Selectivity ratio of IC50 for rat liver DHFR to IC50 for Toxoplasma gondii DHFR None 64.0
Inhibition of Mycobacterium avium DHFR Mycobacterium avium 190.0 nM
Inhibition of Lactobacillus casei DHFR Lactobacillus casei 620.0 nM
Inhibition of Escherichia coli DHFR Escherichia coli 10.0 nM
Inhibition of human recombinant DHFR at >340 uM Homo sapiens 22.0 %
Inhibition of Escherichia coli dihydrofolate reductase Escherichia coli 20.0 nM
Inhibition of Mycobacterium avium DHFR using dihydrofolic acid substrate and NADPH cofactor Mycobacterium avium 300.0 nM
Inhibition of Pneumocystis jirovecii dihydrofolate reductase Pneumocystis jirovecii 25.0 nM
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells at 100 uM by confocal microscopy Homo sapiens 58.1 %
Inhibition of Escherichia coli DHFR Escherichia coli 10.0 nM
Inhibition of human recombinant DHFR at >340 uM Homo sapiens 22.0 %
Inhibition of Escherichia coli dihydrofolate reductase Escherichia coli 10.0 nM
Inhibition of human recombinant dihydrofolate reductase at 340 uM Homo sapiens 22.0 %
GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM Plasmodium falciparum 88.0 %
GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM Plasmodium falciparum 2.0 %
GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM Plasmodium falciparum 3.0 %
GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. Homo sapiens 0.0 %
Competitive inhibition of mouse DHFR by enzyme kinetics assay in presence of variable DHFA level Mus musculus 500.0 nM
Inhibition of Mycobacterium avium DHFR at 37 degC by spectrophotometry Mycobacterium avium 300.0 nM
Inhibition of Escherichia coli DHFR Escherichia coli 20.0 nM
Antimicrobial activity against Toxoplasma gondii Toxoplasma gondii 0.0 nM
Antimicrobial activity against Pneumocystis carinii Pneumocystis carinii 0.0 nM
Antiplasmodial activity against Plasmodium falciparum XE7 after 72 hrs by SYBR green assay Plasmodium falciparum 855.0 nM
Inhibition of Bacillus anthracis recombinant DHFR Y102F mutant Bacillus anthracis 480.0 nM
PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhimurium using a modified counterscreen. (Class of assay: confirmatory) [Related pubchem assays: 2253, 1863, 1874 ] None 870.0 nM
PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibitors of the PhoP region in Salmonella Typhimurium. (Class of assay: confirmatory) [Related pubchem assays: 2253, 1863, 1981, 1874 ] None 560.0 nM
PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of the PhoP region in Salmonella typhi. (Class of assay: confirmatory) [Related pubchem assays: 1850, 1864, 2252, 1985 ] None 820.0 nM
PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi using a modified counterscreen. (Class of assay: confirmatory) None 675.0 nM
Antimalarial activity against pyrimethamine-sensitive Plasmodium falciparum 3D7 expressing wild type DHFR by [3H]hypoxanthine incorporation assay Plasmodium falciparum 406.7 nM
Antibacterial activity against Methicillin-sensitive Staphylococcus aureus assessed as inhibition of bacterial growth at 0.5 ug/ml by CLSI broth microdilution method Staphylococcus aureus 34.3 %
Antibacterial activity against Methicillin-sensitive Staphylococcus aureus assessed as inhibition of bacterial growth at 1 ug/ml by CLSI broth microdilution method Staphylococcus aureus 90.2 %
Antibacterial activity against Methicillin-sensitive Staphylococcus aureus assessed as inhibition of bacterial growth at 2 ug/ml by CLSI broth microdilution method Staphylococcus aureus 97.8 %
Antibacterial activity against Methicillin-sensitive Staphylococcus aureus assessed as inhibition of bacterial growth at 4 ug/ml by CLSI broth microdilution method Staphylococcus aureus 98.5 %
Antibacterial activity against Methicillin-sensitive Staphylococcus aureus assessed as inhibition of bacterial growth at 8 ug/ml by CLSI broth microdilution method Staphylococcus aureus 98.7 %
Antibacterial activity against Methicillin-sensitive Staphylococcus aureus assessed as inhibition of bacterial growth at 16 ug/ml by CLSI broth microdilution method Staphylococcus aureus 98.7 %
Antibacterial activity against Methicillin-sensitive Staphylococcus aureus assessed as inhibition of bacterial growth at 32 ug/ml by CLSI broth microdilution method Staphylococcus aureus 98.7 %
Antibacterial activity against Methicillin-sensitive Staphylococcus aureus assessed as inhibition of bacterial growth at 64 ug/ml by CLSI broth microdilution method Staphylococcus aureus 98.7 %
Antibacterial activity against Methicillin-sensitive Staphylococcus aureus assessed as inhibition of bacterial growth at >8 ug/ml by CLSI broth microdilution method Staphylococcus aureus 100.0 %
Antibacterial activity against Methicillin-resistant Staphylococcus aureus assessed as inhibition of bacterial growth at 0.06 ug/ml by CLSI broth microdilution method Staphylococcus aureus 0.1 %
Antibacterial activity against Methicillin-resistant Staphylococcus aureus assessed as inhibition of bacterial growth at 0.12 ug/ml by CLSI broth microdilution method Staphylococcus aureus 0.2 %
Antibacterial activity against Methicillin-resistant Staphylococcus aureus assessed as inhibition of bacterial growth at 0.25 ug/ml by CLSI broth microdilution method Staphylococcus aureus 5.7 %
Antibacterial activity against Methicillin-resistant Staphylococcus aureus assessed as inhibition of bacterial growth at 0.5 ug/ml by CLSI broth microdilution method Staphylococcus aureus 47.7 %
Antibacterial activity against Methicillin-resistant Staphylococcus aureus assessed as inhibition of bacterial growth at 1 ug/ml by CLSI broth microdilution method Staphylococcus aureus 88.5 %
Antibacterial activity against Methicillin-resistant Staphylococcus aureus assessed as inhibition of bacterial growth at 2 ug/ml by CLSI broth microdilution method Staphylococcus aureus 92.1 %
Antibacterial activity against Methicillin-resistant Staphylococcus aureus assessed as inhibition of bacterial growth at 4 ug/ml by CLSI broth microdilution method Staphylococcus aureus 92.5 %
Antibacterial activity against Methicillin-resistant Staphylococcus aureus assessed as inhibition of bacterial growth at 8 ug/ml by CLSI broth microdilution method Staphylococcus aureus 92.9 %
Antibacterial activity against Methicillin-resistant Staphylococcus aureus assessed as inhibition of bacterial growth at 16 ug/ml by CLSI broth microdilution method Staphylococcus aureus 93.6 %
Antibacterial activity against Methicillin-resistant Staphylococcus aureus assessed as inhibition of bacterial growth at 32 ug/ml by CLSI broth microdilution method Staphylococcus aureus 94.1 %
Antibacterial activity against Methicillin-resistant Staphylococcus aureus assessed as inhibition of bacterial growth at 64 ug/ml by CLSI broth microdilution method Staphylococcus aureus 94.6 %
Antibacterial activity against Methicillin-resistant Staphylococcus aureus assessed as inhibition of bacterial growth at >8 ug/ml by CLSI broth microdilution method Staphylococcus aureus 100.0 %
Antibacterial activity against Beta-hemolytic Streptococcus group A assessed as inhibition of bacterial growth at 0.03 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group A' 0.8 %
Antibacterial activity against Beta-hemolytic Streptococcus group A assessed as inhibition of bacterial growth at 0.06 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group A' 8.6 %
Antibacterial activity against Beta-hemolytic Streptococcus group A assessed as inhibition of bacterial growth at 0.12 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group A' 45.9 %
Antibacterial activity against Beta-hemolytic Streptococcus group A assessed as inhibition of bacterial growth at 0.25 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group A' 84.6 %
Antibacterial activity against Beta-hemolytic Streptococcus group A assessed as inhibition of bacterial growth at 0.5 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group A' 98.5 %
Antibacterial activity against Beta-hemolytic Streptococcus group A assessed as inhibition of bacterial growth at 1 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group A' 99.5 %
Antibacterial activity against Beta-hemolytic Streptococcus group A assessed as inhibition of bacterial growth at 2 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group A' 100.0 %
Antibacterial activity against Beta-hemolytic Streptococcus group A assessed as inhibition of bacterial growth at 4 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group A' 100.0 %
Antibacterial activity against Beta-hemolytic Streptococcus group A assessed as inhibition of bacterial growth at 8 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group A' 100.0 %
Antibacterial activity against Beta-hemolytic Streptococcus group A assessed as inhibition of bacterial growth at 16 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group A' 100.0 %
Antibacterial activity against Beta-hemolytic Streptococcus group A assessed as inhibition of bacterial growth at 32 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group A' 100.0 %
Antibacterial activity against Beta-hemolytic Streptococcus group A assessed as inhibition of bacterial growth at 64 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group A' 100.0 %
Antibacterial activity against Beta-hemolytic Streptococcus group B assessed as inhibition of bacterial growth at 0.03 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group B' 0.0 %
Antibacterial activity against Beta-hemolytic Streptococcus group B assessed as inhibition of bacterial growth at 0.06 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group B' 0.0 %
Antibacterial activity against Beta-hemolytic Streptococcus group B assessed as inhibition of bacterial growth at 0.12 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group B' 0.0 %
Antibacterial activity against Beta-hemolytic Streptococcus group B assessed as inhibition of bacterial growth at 0.25 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group B' 0.5 %
Antibacterial activity against Beta-hemolytic Streptococcus group B assessed as inhibition of bacterial growth at 0.5 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group B' 5.9 %
Antibacterial activity against Beta-hemolytic Streptococcus group B assessed as inhibition of bacterial growth at 1 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group B' 51.0 %
Antibacterial activity against Beta-hemolytic Streptococcus group B assessed as inhibition of bacterial growth at 2 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group B' 89.2 %
Antibacterial activity against Beta-hemolytic Streptococcus group B assessed as inhibition of bacterial growth at 4 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group B' 99.5 %
Antibacterial activity against Beta-hemolytic Streptococcus group B assessed as inhibition of bacterial growth at 8 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group B' 100.0 %
Antibacterial activity against Beta-hemolytic Streptococcus group B assessed as inhibition of bacterial growth at 16 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group B' 100.0 %
Antibacterial activity against Beta-hemolytic Streptococcus group B assessed as inhibition of bacterial growth at 32 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group B' 100.0 %
Antibacterial activity against Beta-hemolytic Streptococcus group B assessed as inhibition of bacterial growth at 64 ug/ml by CLSI broth microdilution method Streptococcus sp. 'group B' 100.0 %
Antibacterial activity against Enterococcus faecalis assessed as inhibition of bacterial growth at 0.03 ug/ml by CLSI broth microdilution method Enterococcus faecalis 0.6 %
Antibacterial activity against Enterococcus faecalis assessed as inhibition of bacterial growth at 0.06 ug/ml by CLSI broth microdilution method Enterococcus faecalis 4.2 %
Antibacterial activity against Enterococcus faecalis assessed as inhibition of bacterial growth at 0.12 ug/ml by CLSI broth microdilution method Enterococcus faecalis 29.7 %
Antibacterial activity against Enterococcus faecalis assessed as inhibition of bacterial growth at 0.25 ug/ml by CLSI broth microdilution method Enterococcus faecalis 56.5 %
Antibacterial activity against Enterococcus faecalis assessed as inhibition of bacterial growth at 0.5 ug/ml by CLSI broth microdilution method Enterococcus faecalis 62.9 %
Antibacterial activity against Enterococcus faecalis assessed as inhibition of bacterial growth at 1 ug/ml by CLSI broth microdilution method Enterococcus faecalis 64.5 %
Antibacterial activity against Enterococcus faecalis assessed as inhibition of bacterial growth at 2 ug/ml by CLSI broth microdilution method Enterococcus faecalis 67.7 %
Antibacterial activity against Enterococcus faecalis assessed as inhibition of bacterial growth at 4 ug/ml by CLSI broth microdilution method Enterococcus faecalis 70.0 %
Antibacterial activity against Enterococcus faecalis assessed as inhibition of bacterial growth at 8 ug/ml by CLSI broth microdilution method Enterococcus faecalis 70.6 %
Antibacterial activity against Enterococcus faecalis assessed as inhibition of bacterial growth at 16 ug/ml by CLSI broth microdilution method Enterococcus faecalis 70.6 %
Antibacterial activity against Enterococcus faecalis assessed as inhibition of bacterial growth at 32 ug/ml by CLSI broth microdilution method Enterococcus faecalis 71.0 %
Antibacterial activity against Enterococcus faecalis assessed as inhibition of bacterial growth at 64 ug/ml by CLSI broth microdilution method Enterococcus faecalis 72.9 %
Antibacterial activity against Enterococcus faecalis assessed as inhibition of bacterial growth at >8 ug/ml by CLSI broth microdilution method Enterococcus faecalis 100.0 %
Antibacterial activity against Enterococcus faecium assessed as inhibition of bacterial growth at 0.03 ug/ml by CLSI broth microdilution method Enterococcus faecium 13.9 %
Antibacterial activity against Enterococcus faecium assessed as inhibition of bacterial growth at 0.06 ug/ml by CLSI broth microdilution method Enterococcus faecium 30.4 %
Antibacterial activity against Enterococcus faecium assessed as inhibition of bacterial growth at 0.12 ug/ml by CLSI broth microdilution method Enterococcus faecium 36.0 %
Antibacterial activity against Enterococcus faecium assessed as inhibition of bacterial growth at 0.25 ug/ml by CLSI broth microdilution method Enterococcus faecium 37.3 %
Antibacterial activity against Enterococcus faecium assessed as inhibition of bacterial growth at 0.5 ug/ml by CLSI broth microdilution method Enterococcus faecium 37.6 %
Antibacterial activity against Enterococcus faecium assessed as inhibition of bacterial growth at 1 ug/ml by CLSI broth microdilution method Enterococcus faecium 38.0 %
Antibacterial activity against Enterococcus faecium assessed as inhibition of bacterial growth at 2 ug/ml by CLSI broth microdilution method Enterococcus faecium 38.3 %
Antibacterial activity against Enterococcus faecium assessed as inhibition of bacterial growth at 4 ug/ml by CLSI broth microdilution method Enterococcus faecium 38.9 %
Antibacterial activity against Enterococcus faecium assessed as inhibition of bacterial growth at 8 ug/ml by CLSI broth microdilution method Enterococcus faecium 41.6 %
Antibacterial activity against Enterococcus faecium assessed as inhibition of bacterial growth at 16 ug/ml by CLSI broth microdilution method Enterococcus faecium 47.2 %
Antibacterial activity against Enterococcus faecium assessed as inhibition of bacterial growth at 32 ug/ml by CLSI broth microdilution method Enterococcus faecium 55.1 %
Antibacterial activity against Enterococcus faecium assessed as inhibition of bacterial growth at 64 ug/ml by CLSI broth microdilution method Enterococcus faecium 60.7 %
Antibacterial activity against Enterococcus faecium assessed as inhibition of bacterial growth at >8 ug/ml by CLSI broth microdilution method Enterococcus faecium 100.0 %
Inhibition of Babesia gibsoni Dihydrofolate reductase-thymidylate synthase expressed in Escherichia coli BL21 Babesia gibsoni 55.0 nM
Inhibition of trimethoprim-sensitive Staphylococcus aureus DfrB type dihydrofolate reductase Staphylococcus aureus 25.7 nM
Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay Staphylococcus aureus 14.4 nM Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay Staphylococcus aureus 4.4 nM
Inhibition of Staphylococcus aureus DHFR F98Y mutant by MTS assay Staphylococcus aureus 539.7 nM Inhibition of Staphylococcus aureus DHFR F98Y mutant by MTS assay Staphylococcus aureus 53.6 nM
PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of the PhoP region in Salmonella typhi (2) using purified and synthesized compounds. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1850, AID1864, AID1985, AID2252, AID2384, AID2612, AID2811] None 150.0 nM
Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spectrophotometry Staphylococcus aureus 1.24 nM
Inhibition of Haemophilus influenzae DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spectrophotometry Haemophilus influenzae 0.19 nM
Inhibition of TMP-resistant Staphylococcus aureus DHFR F99Y mutant assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spectrophotometry Staphylococcus aureus 90.0 nM
Inhibition of DHFR using dihydrofolate as substrate following 3 mins substrate preincubation measured after 3 mins by spectrophotometric analysis None 123.0 nM
Inhibition of Escherichia coli DHFR Escherichia coli 10.0 nM
Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake at 20 uM by scintillation counting Homo sapiens 24.7 %
Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake at 20 uM incubated for 5 mins by scintillation counting Homo sapiens 18.8 %
Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake at 20 uM incubated for 5 mins by scintillation counting Homo sapiens 35.1 %
Inhibition of Mycobacterium avium DHFR Mycobacterium avium 1.5 nM
Inhibition of Pneumocystis jirovecii recombinant DHFR Pneumocystis jirovecii 120.0 nM
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 82.92 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 97.26 %
Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis in presence of NADPH Staphylococcus aureus 1.2 nM
Inhibition of methicillin-resistant Staphylococcus aureus DHFR Staphylococcus aureus 23.0 nM
Antibacterial activity against sensitive Streptococcus faecium ATCC 8043 assessed as reduction in growth Enterococcus faecium 80.0 nM
Antibacterial activity against sensitive Lactobacillus casei ATCC 7469 assessed as reduction Lactobacillus casei 190.0 nM
Antibacterial activity against chlorguanide triazine-resistant Lactobacillus casei ATCC 7469 assessed as reduction in growth Lactobacillus casei 17.0 nM
Antibacterial activity against sensitive Escherichia coli ATCC 10536 assessed as reduction in growth Escherichia coli 400.0 nM
Binding affinity to DHFR (unknown origin) by NMR analysis Homo sapiens 0.006 nM
Antiparasitic activity against promastigote form of Leishmania mexicana MHOM/BZ/61/M379 at 100 uM after 24 hrs by haemocytometer Leishmania mexicana 30.0 %
Inhibition of Leishmania mexicana MHOM/BZ/61/M379 DHFR assessed as survival at 100 uM after 1 hr Leishmania mexicana 70.0 %
Inhibition of Leishmania mexicana MHOM/BZ/61/M379 DHFR assessed as parasite survival at 100 uM after 1 hr in presence of 100 uM folic acid Leishmania mexicana 100.0 %
Inhibition of recombinant Staphylococcus aureus DHFR expressed in Escherichia coli BL21(DE3) cells assessed as reduction in NADPH oxidation using dihydrofolate as substrate preincubated for 5 mins followed by substrate addition Staphylococcus aureus 3.43 nM
Inhibition of recombinant Escherichia coli DHFR expressed in Escherichia coli BL21(DE3) cells assessed as reduction in NADPH oxidation using dihydrofolate as substrate preincubated for 5 mins followed by substrate addition Escherichia coli 0.22 nM
Antimalarial activity against Plasmodium falciparum Plasmodium falciparum 0.38 ug.mL-1
Inhibition of bovine liver DHFR using FH2 as substrate preincubated for 2 mins followed by substrate addition in presence of NADPH Bos taurus 0.042 ug.mL-1
Inhibition of Escherichia coli DHFR using dihydrofolate as substrate by spectrophotometric method Escherichia coli 20.0 nM
Antimalarial activity against Plasmodium falciparum in infected in human RBC Plasmodium falciparum 0.38 ug.mL-1
Inhibition of bovine liver DHFR using FH2 as substrate preincubated for 2 mins followed by substrate addition Bos taurus 0.042 ug.mL-1
Inhibition of Pneumocystis jirovecii recombinant DHFR expressed in Escherichia coli Rosetta Gami B (DE3) competent cells using DHFA as substrate and NADPH Pneumocystis jirovecii 92.0 nM
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging Homo sapiens 1.15 %
Inhibition of bovine liver DHFR using FH2 as substrate incubated for 2 mins followed by substrate addition Bos taurus 0.042 ug.mL-1
Antimalarial activity against Plasmodium falciparum FCR3 infected in human erythrocytes by Giemsa staining analysis Plasmodium falciparum 0.38 ug.mL-1 Antimalarial activity against Plasmodium falciparum FCR3 infected in human erythrocytes by Giemsa staining analysis Plasmodium falciparum 380.19 nM
Inhibition of Pneumocystis jirovecii DHFR expressed in Escherichia coli Rosetta-gami B (DE3) assessed as reduction in consumption of NADPH using 18 uM DHFA as substrate Pneumocystis jirovecii 120.0 nM
Inhibition of Pneumocystis jirovecii DHFR expressed in Escherichia coli Rosetta-gami B (DE3) assessed as reduction in consumption of NADPH using 9 uM DHFA as substrate Pneumocystis jirovecii 92.0 nM
Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihydrofolate substrate addition Staphylococcus aureus 3.43 nM
Inhibition of TMP/methicillin-resistant Staphylococcus aureus recombinant DHFR F98Y mutant expressed in Escherichia coli BL21 (DE3) cells assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihydrofolate substrate addition Staphylococcus aureus 14.68 nM
Inhibition of TMP/methicillin-resistant Staphylococcus aureus recombinant DHFR H30N mutant expressed in Escherichia coli BL21 (DE3) cells assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihydrofolate substrate addition Staphylococcus aureus 6.89 nM
Inhibition of TMP/methicillin-resistant Staphylococcus aureus recombinant DHFR H149R mutant expressed in Escherichia coli BL21 (DE3) cells assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihydrofolate substrate addition Staphylococcus aureus 240.8 nM
Inhibition of TMP/methicillin-resistant Staphylococcus aureus recombinant DHFR H30N/F98Y double mutant expressed in Escherichia coli BL21 (DE3) cells assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihydrofolate substrate addition Staphylococcus aureus 595.1 nM
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 1.7 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 12.64 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.03 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.04 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.03 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.04 %
Inhibition of Mycobacterium smegmatis ATCC 607 dihydrofolic reductase Mycobacterium smegmatis 70.0 nM
Antibacterial activity against Bacillus subtilis 168 after 12 hrs Bacillus subtilis subsp. subtilis 300.0 nM
Inhibition of recombinant Escherichia coli DHFR expressed in Escherichia coli BL21 (DE3) using DiHF as substrate incubated for 5 mins Escherichia coli 0.2 nM Inhibition of recombinant Escherichia coli DHFR expressed in Escherichia coli BL21 (DE3) using DiHF as substrate incubated for 5 mins Escherichia coli 0.02 nM
Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21 (DE3) using DiHF as substrate incubated for 3 mins by spectrophotometry Mycobacterium tuberculosis 16.5 nM
Inhibition of recombinant Staphylococcus aureus His-tagged DHFR using DiHF as substrate incubated for 3 mins Staphylococcus aureus 4.4 nM Inhibition of recombinant Staphylococcus aureus His-tagged DHFR using DiHF as substrate incubated for 3 mins Staphylococcus aureus 0.014 nM
Inhibition of bacterial DfrB1 expressed in Escherichia coli BL21 (DE3) using dihydrofolate and NADPH as substrate Bacteria 380.0 nM
Inhibition of bacterial DfrB2 expressed in Escherichia coli BL21 (DE3) using dihydrofolate and NADPH as substrate Bacteria 810.0 nM
Inhibition of bacterial DfrB3 expressed in Escherichia coli BL21 (DE3) using dihydrofolate and NADPH as substrate Bacteria 450.0 nM
Inhibition of bacterial DfrB4 expressed in Escherichia coli BL21 (DE3) using dihydrofolate and NADPH as substrate Bacteria 500.0 nM
Inhibition of bacterial DfrB7 expressed in Escherichia coli BL21 (DE3) using dihydrofolate and NADPH as substrate Bacteria 660.0 nM
Inhibition of Escherichia coli chromosomal Dfr Escherichia coli 0.02 nM
Inhibition of Leishmania major DHFR assessed by NADPH oxidation measured by spectrophotometric method Leishmania major 120.0 nM
Inhibition of human DHFR assessed by NADPH oxidation measured by spectrophotometric method Homo sapiens 10.0 nM

Environmental Exposure

Environmental Exposure Map
Countries
Bangladesch
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia
Slovenia
USA
Vietnam

Cross References

Resources Reference
ChEBI 45924
ChEMBL CHEMBL22
DrugBank DB00440
DrugCentral 2755
FDA SRS AN164J8Y0X
Human Metabolome Database HMDB0014583
Guide to Pharmacology 10931
KEGG C01965
PDB TOP
PharmGKB PA451788
PubChem 5578
SureChEMBL SCHEMBL24506
ZINC ZINC000006627681
CONTENTS