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

General Information of Drug (ID: DR0361)
Drug Name
Clotiazepam
Synonyms
Clotiazepam [INN:JAN]; Clotiazepamum; Clotiazepamum [INN-Latin]; Clozan; Distensan; Tienor; Trecalmo; Veratran; Y 6047; ZCN055599V; clotiazepam; 33671-46-4; 5-(2-Chlorophenyl)-7-ethyl-1-methyl-1,3-dihydro-2H-thieno(2,3-e)(1,4)diazepin-2-one; 5-(2-chlorophenyl)-7-ethyl-1-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one; 5-(o-Chlorophenyl)-7-ethyl-1,3-dihydro-1-methyl-2H-thieno(2,3-e)-1,4-diazepin-2-one; BRN 0623332; CHBRHODLKOZEPZ-UHFFFAOYSA-N; DEA No. 2752; EINECS 251-627-3; Rise; Rize; Rizen; UNII-ZCN055599V
Indication Anxiety disorder [ICD11: 6B00] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 318.8 Topological Polar Surface Area 60.9
Heavy Atom Count 21 Rotatable Bond Count 2
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
2811
PubChem SID
4821018 ; 7848391 ; 8151818 ; 10519139 ; 12015458 ; 15445216 ; 29221966 ; 46508776 ; 48415812 ; 50053288 ; 50458572 ; 57321476 ; 58106918 ; 104301682 ; 109612938 ; 124973749 ; 125823447 ; 126666095 ; 127624260 ; 134221992 ; 134338208 ; 135000200 ; 137005586 ; 160964803 ; 164838520 ; 179150338 ; 198987699 ; 198993221 ; 223668114 ; 224743438 ; 226428801 ; 241062689 ; 250113220 ; 252399059
ChEBI ID
CHEBI:31425
CAS Number
33671-46-4
TTD Drug ID
D0R4DP
Formula
C16H15ClN2OS
Canonical SMILES
CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=CC=C3Cl)C
InChI
1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3
InChIKey
CHBRHODLKOZEPZ-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
Clotiazepam M (hydroxy-) DM005630
91748262
Unclear 1 [3]
Desmethyl-clotiazepam DM005631
135624512
Unclear 1 [3]
Unclear DM009999 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006006 Clotiazepam Unclear Unclear CYP2C18 ... [2]
MR006007 Clotiazepam Clotiazepam M (hydroxy-) Unclear Unclear [3]
MR006008 Clotiazepam Desmethyl-clotiazepam Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2B6 (CYP2B6) DME0020 Homo sapiens
CP2B6_HUMAN
1.14.14.1
[2]
Cytochrome P450 2C18 (CYP2C18) DME0017 Homo sapiens
CP2CI_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[2]
References
1 VERATRAN 10 mg, comprime secable, boite de 30.
2 Contribution of human hepatic cytochrome p450 isoforms to the metabolism of psychotropic drugs. Biol Pharm Bull. 2005 Sep;28(9):1711-6.
3 Electron capture GLC analysis of the thienodiazepine clotiazepam. Preliminary pharmacokinetic studies

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