Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0376)
Drug Name
Conivaptan hydrochloride
Synonyms
Conivaptan (hydrochloride); Conivaptan HCl; Conivaptan HCl (Vaprisol); Conivaptan hydrochloride; Conivaptan hydrochloride [USAN]; N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide hydrochloride; UNII-75L57R6X36; Vaprisol; YM 087; 168626-94-6; 4'-((4,5-Dihydro-2-methylimidazo(4,5-d)(1)benzazepin-6(1H)-yl)carbonyl)-2-biphenylcarboxanilide monohydrochloride; 75L57R6X36; AK104672; C32H27ClN4O2; CHEBI:31430; CI-1025
Indication Hyponatraemia [ICD11: 5C72] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 535 Topological Polar Surface Area 78.1
Heavy Atom Count 39 Rotatable Bond Count 4
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
216322
ChEBI ID
CHEBI:31430
CAS Number
168626-94-6
TTD Drug ID
D0VU2X
Formula
C32H27ClN4O2
Canonical SMILES
CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6.Cl
InChI
1S/C32H26N4O2.ClH/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22;/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37);1H
InChIKey
BTYHAFSDANBVMJ-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Unclear DM009999 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013654 Conivaptan hydrochloride Unclear Unclear CYP3A4 [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Conivaptan Hydrochloride was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Conivaptan: a dual vasopressin receptor v1a/v2 antagonist [corrected]. Cardiovasc Drug Rev. 2007 Fall;25(3):261-79.
3 U. S. FDA Label -Conivaptan hydrochloride

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