TINIDAZOLE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category UNKNOWN
ATC J01XD02 P01AB02
UNII 033KF7V46H
EPA CompTox DTXSID4023676

Structure

InChI Key HJLSLZFTEKNLFI-UHFFFAOYSA-N
Smiles CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C
InChI
InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H13N3O4S
Molecular Weight 247.28
AlogP 0.53
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 95.1
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 87
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 14
Assay Description Organism Bioactivity Reference
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells at 100 uM by confocal microscopy Homo sapiens 14.2 %
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 87.04 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 99.37 %
Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020); MIC in CAMBH media, using NBS plates, by OD(600) Staphylococcus aureus subsp. aureus 16.09 %
Antibacterial activity against Escherichia coli ATCC 25922 (CO-ADD:GN_001); MIC in CAMBH media using NBS plates, by OD(600) Escherichia coli -5.72 %
Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); MIC in CAMBH media using NBS plates, by OD(600) Klebsiella pneumoniae 6.48 %
Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 (CO-ADD:GN_042); MIC in CAMBH media using NBS plates, by OD(600) Pseudomonas aeruginosa 18.84 %
Antibacterial activity against Acinetobacter baumannii ATCC 19606 (CO-ADD:GN_034); MIC in CAMBH media using NBS plates, by OD600 Acinetobacter baumannii 20.01 %
Antifungal activity against Candida albicans ATCC 90028 (CO-ADD:FG_001); MIC in YNB media using NBS plates, by OD630 Candida albicans 4.29 %
Antifungal activity against Cryptococcus neoformans H99 ATCC 208821 (CO-ADD:FG_002); MIC in YNB media using NBS plates, by Resazurin OD(600-570) Cryptococcus neoformans -11.27 %
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 3.81 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 7.066 %
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 0.14 % 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 0.14 %
Antigiardial activity against Giardia duodenalis GS/M-83-H7 (ATCC 50581) incubated for 3 days by fluorescence method Giardia intestinalis 300.0 nM
Antigiardial activity against Giardia duodenalis WB (ATCC 30957) incubated for 3 days by fluorescence method Giardia intestinalis 300.0 nM
Antigiardial activity against Giardia duodenalis G1 incubated for 3 days by fluorescence method Giardia intestinalis 300.0 nM
Antigiardial activity against Giardia duodenalis Ah1 incubated for 3 days by fluorescence method Giardia intestinalis 300.0 nM
Antigiardial activity against Giardia duodenalis Ah2 incubated for 3 days by fluorescence method Giardia intestinalis 300.0 nM
Antigiardial activity against Giardia duodenalis Ac1 incubated for 3 days by fluorescence method Giardia intestinalis 300.0 nM
Antigiardial activity against Giardia duodenalis Ac2 incubated for 3 days by fluorescence method Giardia intestinalis 300.0 nM
Antigiardial activity against Giardia duodenalis Ec1 incubated for 3 days by fluorescence method Giardia intestinalis 300.0 nM
Antigiardial activity against Giardia duodenalis Ec2 incubated for 3 days by fluorescence method Giardia intestinalis 300.0 nM
Antigiardial activity against Giardia lamblia WB (ATCC 30957) incubated for 3 days by [3H]thymidine incorporation based assay Giardia intestinalis 300.0 nM

Related Entries

Cross References

Resources Reference
ChEBI 63627
ChEMBL CHEMBL1220
DrugBank DB00911
DrugCentral 2671
FDA SRS 033KF7V46H
Human Metabolome Database HMDB0015047
PharmGKB PA10813
PubChem 5479
SureChEMBL SCHEMBL21141
ZINC ZINC000000113446
CONTENTS