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

General Information of Drug (ID: DR0231)
Drug Name
Bromazepam
Synonyms
Bromazepam [USAN:INN:BAN:JAN]; Bromazepamum; Bromazepamum [INN-Latin]; Bromazepamum [Latin]; Calmepam; Compedium; Compendium; Creosedin; Durazanil; KL 001; KL-001; LA Xvii; Lectopam; Lekotam; Lexaurin; Lexilium; Lexomil; Lexotan; Lexotanil; Normoc; Pasca;oi,; Ro 5-3350; Ultramidol; bromazepam; 1812-30-2; 2H-1,4-Benzodiazepin-2-one, 7-bromo-1,3-dihydro-5-(2-pyridinyl)-; 7-Bromo-1,3-dihydro-5-(2-pyridyl)-2H-1,4-benzodiazepin-2-one; 7-Bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2(1H)-one; EINECS 217-322-4; NSC 140669; UNII-X015L14V0O
Indication Anxiety disorder [ICD11: 6B00] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 316.15 Topological Polar Surface Area 54.4
Heavy Atom Count 19 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
2441
PubChem SID
426638 ; 5581001 ; 7848308 ; 7849654 ; 7978819 ; 8151628 ; 10511286 ; 14874497 ; 24891754 ; 29221605 ; 46505694 ; 49884085 ; 57321314 ; 57653933 ; 58106896 ; 75316922 ; 103179428 ; 104300596 ; 124360358 ; 126676319 ; 129495473 ; 134338299 ; 134979543 ; 136949630 ; 137001528 ; 141195787 ; 160964802 ; 163049283 ; 164837136 ; 164837137 ; 179148422 ; 184573827 ; 198951384 ; 198991799 ; 223454298 ; 223662261 ; 224436343 ; 226428244 ; 250119309
ChEBI ID
CHEBI:31302
CAS Number
1812-30-2
TTD Drug ID
D0E3FD
Formula
C14H10BrN3O
Canonical SMILES
C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3
InChI
1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)
InChIKey
VMIYHDSEFNYJSL-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
2-(2-amino-5-bromobenzoyl) pyridine (ABP) DM006959
73807
Hydrolysis - Hydrolysis 1 [4]
3-hydroxybromazepam DM006958
166774
Unclear 1 [3] , [4]
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
MR007574 Bromazepam 3-hydroxybromazepam Unclear Unclear [3], [4]
MR007575 Bromazepam 2-(2-amino-5-bromobenzoyl) pyridine (ABP) Hydrolysis - Hydrolysis Unclear [4]
MR007576 Bromazepam Unclear Unclear CYP1A2 [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[3]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[2]
References
1 Analogue-based Drug Discovery. Edited by IUPAC, Janos Fischer, C.Robin Ganellin. Page: 53.
2 Selective serotonin reuptake inhibitors and CNS drug interactions. A critical review of the evidence. Clin Pharmacokinet. 1997 Dec;33(6):454-71.
3 The effect of itraconazole on the pharmacokinetics and pharmacodynamics of bromazepam in healthy volunteers
4 Stability indicating spectrophotometric methods for quantitative determination of bromazepam and its degradation product

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