Details of the Drug

General Information of Drug (ID: DM1QLST)

Drug Name
Trimazosin
Synonyms
Trimazosin hydrochloride; Trimazosin HCl; 53746-46-6; UNII-827T79ILE7; Trimazosin hydrochloride [USAN]; 827T79ILE7; Trimazosin hydrochloride monohydrate; Trimazosin hydrochloride (USAN); 35795-16-5 (Parent); Cardovar; Supres; Trimazosin hydrochlorid-1-wasser; AC1Q3ECH; CP 19106-1; AC1L21UN; SCHEMBL10363255; CHEMBL3989848; DTXSID40202021; Trimazosin monohydrochloride monohydrate; 2-Hydroxy-2-methylpropyl 4-(4-amino-6,7,8-trimethoxy-2-quinazolinyl)-1-piperazinecarboxylate monohydrochloride monohydrate; 1-Piperazinecarboxylic aci
Indication
Disease Entry ICD 11 Status REF
Congestive heart failure BD10 Approved [1]
ATC Code
C02CA03: Trimazosin
C02CA: Alpha-adrenoreceptor antagonists
C02C: ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
C02: ANTIHYPERTENSIVES
C: CARDIOVASCULAR SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 435.5
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 10
ADMET Property
Bioavailability
61% of drug becomes completely available to its intended biological destination(s) [2]
Clearance
The drug present in the plasma can be removed from the body at the rate of 0.96 mL/min/kg [3]
Half-life
The concentration or amount of drug in body reduced by one-half in 3.1 hours [3]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 0.18 L/kg [3]
Chemical Identifiers
Formula
C20H29N5O6
IUPAC Name
(2-hydroxy-2-methylpropyl) 4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazine-1-carboxylate
Canonical SMILES
CC(C)(COC(=O)N1CCN(CC1)C2=NC3=C(C(=C(C=C3C(=N2)N)OC)OC)OC)O
InChI
InChI=1S/C20H29N5O6/c1-20(2,27)11-31-19(26)25-8-6-24(7-9-25)18-22-14-12(17(21)23-18)10-13(28-3)15(29-4)16(14)30-5/h10,27H,6-9,11H2,1-5H3,(H2,21,22,23)
InChIKey
YNZXWQJZEDLQEG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
37264
ChEBI ID
CHEMBL135710
CAS Number
35795-16-5
UNII
31L760807H
DrugBank ID
DB09206
TTD ID
D0T4WA
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor alpha-1D (ADRA1D) TT34BHT ADA1D_HUMAN Modulator [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches
3 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4 The hypotensive effect of trimazosin is not caused solely by alpha 1-adrenoceptor blockade. J Cardiovasc Pharmacol. 1984 Jan-Feb;6(1):142-50.