TRIAMTERENE

Search structure
Trade Names:
Synonyms:
Status: Approved (1964)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C03DB02
UNII: WS821Z52LQ

Structure
InChI Key FNYLWPVRPXGIIP-UHFFFAOYSA-N
Smile 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

Pharmacology

Action Mechanism of Action Reference
BLOCKER Amiloride-sensitive sodium channel, ENaC blocker
Primary Target
ENaCαβγ
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 10000 - - -
Enzyme Hydrolase
- - - -
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 Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- 4613 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- 4613 - - -
Enzyme Oxidoreductase
- - - 3400 21
Enzyme Protease Cysteine protease Cysteine protease CD clan Cysteine protease C14 family
- 3663 - - -
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 7413 - - -
Enzyme Transferase
- - - - 103.68
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 19.41-21.96
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 69.61

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Death, Sudden, Cardiac 3 D016757 ClinicalTrials
Atherosclerosis 3 D050197 ClinicalTrials
Hypercholesterolemia 3 D006937 ClinicalTrials
Coronary Disease 3 D003327 ClinicalTrials

Related Entries

Scaffolds

Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Blood and lymphatic system disorders
23.29
Injury, poisoning and procedural complications
12.33
Investigations
12.33
Metabolism and nutrition disorders
9.59
Nervous system disorders
6.85
General disorders and administration site conditions
5.48
Musculoskeletal and connective tissue disorders
5.48
Psychiatric disorders
5.48
Cardiac disorders
4.11
Endocrine disorders
2.74
Infections and infestations
2.74
Respiratory, thoracic and mediastinal disorders
2.74

Cross References

Resources Reference
CAS NUMBER 396-01-0
ChEBI 9671
ChEMBL CHEMBL585
DrugBank DB00384
DrugCentral 2728
EPA CompTox DTXSID6021373
FDA SRS WS821Z52LQ
Human Metabolome Database HMDB01940
Guide to Pharmacology 4329
PDB DX2
PharmGKB PA451752
PubChem 5546
SureChEMBL SCHEMBL40707
ZINC ZINC000000120286
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