TRIAMTERENE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C03DB02
UNII WS821Z52LQ
EPA CompTox DTXSID6021373

Structure

InChI Key FNYLWPVRPXGIIP-UHFFFAOYSA-N
Smiles Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1
InChI
InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H11N7
Molecular Weight 253.27
AlogP 0.83
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 129.62
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 19.0

Metabolites Network

visNetwork

Bioactivity

Mechanism of Action Action Reference
Amiloride-sensitive sodium channel, ENaC blocker BLOCKER PubMed DailyMed Wikipedia
Protein: Amiloride-sensitive sodium channel, ENaC
Description: Amiloride-sensitive sodium channel subunit alpha
Organism : Homo sapiens
P37088 ENSG00000111319
Protein: Amiloride-sensitive sodium channel, ENaC
Description: Amiloride-sensitive sodium channel subunit beta
Organism : Homo sapiens
P51168 ENSG00000168447
Protein: Amiloride-sensitive sodium channel, ENaC
Description: Amiloride-sensitive sodium channel subunit gamma
Organism : Homo sapiens
P51170 ENSG00000166828
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase p70 subfamily
- - - - 95
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase SGK family
- - - - 94
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase PAKA subfamily
- - - - 100
Enzyme Oxidoreductase
- - - 3400 21
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 70
Assay Description Organism Bioactivity Reference
Inhibition of beta-lactamase at 100 uM None 5.0 %
Inhibition of chymotrypsin at 250 uM unidentified 5.0 %
Compound was tested for the inhibition of malate dehydrogenase (MDH) at 50 uM None 21.0 %
Inhibition of PAK1 at 31 uM None 100.0 %
Inhibition of p70S6K at 33 uM None 95.0 %
Inhibition of SGK1 at 33 uM None 94.0 %
PUBCHEM_BIOASSAY: Luminescent dose response cell-based high throughput screening assay for inhibitors of the Janus kinase 2 mutant JAK2V617F. (Class of assay: confirmatory) [Related pubchem assays: 1446 (Primary screen.), 1521 (Confirmation assay.), 1486 (Counter screen.)] None 807.0 nM
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 78.63 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 69.61 %
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 -4.86 %
Antibacterial activity against Escherichia coli ATCC 25922 (CO-ADD:GN_001); MIC in CAMBH media using NBS plates, by OD(600) Escherichia coli 10.99 %
Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); MIC in CAMBH media using NBS plates, by OD(600) Klebsiella pneumoniae -1.05 %
Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 (CO-ADD:GN_042); MIC in CAMBH media using NBS plates, by OD(600) Pseudomonas aeruginosa 9.67 %
Antibacterial activity against Acinetobacter baumannii ATCC 19606 (CO-ADD:GN_034); MIC in CAMBH media using NBS plates, by OD600 Acinetobacter baumannii 11.64 %
Antifungal activity against Candida albicans ATCC 90028 (CO-ADD:FG_001); MIC in YNB media using NBS plates, by OD630 Candida albicans 4.35 %
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 1.8 %
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 -12.95 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 103.68 %
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 -0.01 % 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 -0.01 %

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Germany
Hungary
USA

Cross References

Resources Reference
ChEBI 9671
ChEMBL CHEMBL585
DrugBank DB00384
DrugCentral 2728
FDA SRS WS821Z52LQ
Human Metabolome Database HMDB0001940
Guide to Pharmacology 4329
PDB DX2
PharmGKB PA451752
PubChem 5546
SureChEMBL SCHEMBL40707
ZINC ZINC000000120286
CONTENTS