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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:135710
CAS Number: 35795-16-5
DrugBank ID: DB09206
TTD ID: D0T4WA

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.