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

General Information of Drug (ID: DR0358)
Drug Name
Clorazepic acid
Prodrug Info Clorazepic acid is the prodrug of Oxazepam
Synonyms
Chlorazepate; Clorazepate dipotassium; Clorazepic acid; Clorazepic acid [BAN]; Dipotassium clorazepate; Gen-xene; Tranxene; XDDJGVMJFWAHJX-UHFFFAOYSA-N; clorazepate; 149128-44-9; 23887-31-2; 7-Chloro-2,3-dihydro-2,2-dihydroxy-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid; 7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid; 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylic acid; CHEBI:3761; Cchlorazepic acid; DEA No. 2768; EINECS 245-926-8; HSDB 3041
Indication Anxiety disorder [ICD11: 6B00] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 314.72 Topological Polar Surface Area 78.8
Heavy Atom Count 22 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
2809
PubChem SID
9138 ; 4821016 ; 7849641 ; 7978977 ; 8151816 ; 10542638 ; 14950450 ; 29221964 ; 46506595 ; 50066179 ; 50071296 ; 74906350 ; 96079582 ; 103807498 ; 104239421 ; 104301676 ; 117469038 ; 129671809 ; 134337554 ; 134994500 ; 137089233 ; 137240524 ; 160963973 ; 162311076 ; 163299016 ; 179225622 ; 198993218 ; 223365884 ; 224779999 ; 227838419 ; 241037568 ; 250143278
ChEBI ID
CHEBI:3761
CAS Number
23887-31-2
TTD Drug ID
D0P3JU
Formula
C16H11ClN2O3
Canonical SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)O
InChI
1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22)
InChIKey
XDDJGVMJFWAHJX-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
Desmethyldiazepam DM000834
2997
Oxidation - N-demethylation 1 [3]
Oxazepam DM003073
4616
Unclear 1 [3]
p-Hydroxynordiazepam DM002912
87025
Unclear 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005297 Clorazepic acid Oxazepam Unclear Unclear [3]
MR005298 Clorazepic acid Nordazepam Oxidation - N-demethylation CYP3A4 [3]
MR005299 Clorazepic acid p-Hydroxynordiazepam Unclear Unclear [4]
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 Analogue-based Drug Discovery. Edited by IUPAC, Janos Fischer, C.Robin Ganellin. Page: 536.
2 In vitro drug allergy detection system incorporating human liver microsomes in chlorazepate-induced skin rash: drug-specific proliferation associated with interleukin-5 secretion. Br J Dermatol. 2001 Feb;144(2):316-20.
3 Determination of clorazepate and its major metabolites in blood and urine by electron capture gas-liquid chromatography
4 DrugBank(Pharmacology-Metabolism):Clorazepic acid

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