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

General Information of Drug (ID: DR0237)
Drug Name
Brotizolam
Synonyms
Brotizolamum; Brotizolamum [INN-Latin]; Lendorm; Lendormin; Mederantil; Sintonal; UMSGKTJDUHERQW-UHFFFAOYSA-N; WE 941; WE-941; brotizolam; 2-Bromo-4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine; 2-Bromo-4-(o-chlorophenyl)-9-methyl-6H-thieno(3,2-f)-s-triazolo(4,3-a)(1,4)diazepine; 2-bromo-4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine; 57801-81-7; 5XZM1R3DKF; BRN 0839277; C15H10BrClN4S; CHEMBL32479; EINECS 260-964-5; NCGC00183872-01; UNII-5XZM1R3DKF
Indication Insomnia [ICD11: 7A00] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 393.7 Topological Polar Surface Area 71.3
Heavy Atom Count 22 Rotatable Bond Count 1
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
2451
ChEBI ID
CHEBI:31308
CAS Number
57801-81-7
Formula
C15H10BrClN4S
Canonical SMILES
CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Cl
InChI
1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3
InChIKey
UMSGKTJDUHERQW-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
Brotizolam Metabolite S5 DM003123 N. A. Unclear 1 [3]
W1061 DM003114 N. A. Oxidation - Hydrolyzationn 1 [3]
WE1069 DM003128 N. A. Unclear 1 [3]
WE964 DM003120 N. A. Oxidation - Hydrolyzationn 1 [3]
Brotizolam Metabolite S3 DM003117 N. A. Unclear 2 [3]
Brotizolam Metabolite S6 DM003124 N. A. Unclear 2 [3]
Brotizolam Metabolite S8 DM003126 N. A. Unclear 2 [3]
WE1064 DM003119 N. A. Oxidation - Oxidationn 2 [3]
WE1073 DM003115 N. A. Unclear 2 [3]
WE956 DM003122 N. A. Oxidation - Demethylation 2 [3]
Brotizolam Metabolite S1 DM003121 N. A. Unclear 3 [3]
Brotizolam Metabolite S2 DM003116 N. A. Unclear 3 [3]
Brotizolam Metabolite S4 DM003118 N. A. Unclear 3 [3]
Brotizolam Metabolite S7 DM003125 N. A. Unclear 3 [3]
Brotizolam Metabolite S9 DM003127 N. A. Unclear 3 [3]
⏷ Show the Full List of 15  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003554 Brotizolam W1061 Oxidation - Hydrolyzationn Unclear [3]
MR003560 Brotizolam WE964 Oxidation - Hydrolyzationn Unclear [3]
MR003564 Brotizolam Brotizolam Metabolite S5 Unclear Unclear [3]
MR003569 Brotizolam WE1069 Unclear Unclear [3]
MR003565 Brotizolam Metabolite S5 Brotizolam Metabolite S6 Unclear Unclear [3]
MR003567 Brotizolam Metabolite S5 Brotizolam Metabolite S8 Unclear Unclear [3]
MR003555 W1061 WE1073 Unclear Unclear [3]
MR003557 W1061 Brotizolam Metabolite S3 Unclear Unclear [3]
MR003559 W1061 WE1064 Oxidation - Oxidationn Unclear [3]
MR003561 WE964 WE1073 Unclear Unclear [3]
MR003563 WE964 WE956 Oxidation - Demethylation Unclear [3]
MR003558 Brotizolam Metabolite S3 Brotizolam Metabolite S4 Unclear Unclear [3]
MR003566 Brotizolam Metabolite S6 Brotizolam Metabolite S7 Unclear Unclear [3]
MR003568 Brotizolam Metabolite S8 Brotizolam Metabolite S9 Unclear Unclear [3]
MR003556 WE1073 Brotizolam Metabolite S2 Unclear Unclear [3]
MR003562 WE1073 Brotizolam Metabolite S1 Unclear Unclear [3]
⏷ Show the Full List of 16 MR(s)
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 Pharmacoelectroencephalographic study of brotizolam, a novel hypnotic. Clin Pharmacol Ther. 1981 Sep;30(3):336-42.
2 Inhibition of the metabolism of brotizolam by erythromycin in humans: in vivo evidence for the involvement of CYP3A4 in brotizolam metabolism. Br J Clin Pharmacol. 2005 Aug;60(2):172-5.
3 Pharmacokinetics and metabolism of brotizolam in animals

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