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

General Information of Drug (ID: DR5362)
Drug Name
Remimazolam
Synonyms
CNS-7054; CNS-7056; CNS-7056B; CNS-7056X; GW-351564X; GW-418259X; GW-457837A; GW-502056X; ONO-2745; Short-acting sedatives, Therasci; GABA A agonist (anesthesia, sedation) CeNeS/Ono; Sedatives (short acting), CeNeS/Ono; Sedatives (short acting), PAION/Ono; Sedatives (short-acting), TheraSci; Short-acting sedatives, Therasci/GSK; Sedatives (short-acting), TheraSci/GSK
Indication Procedural sedation [ICD11: JB0C] Approved [1]
Anaesthesia [ICD11: ICD11: 9A76-9A78] Phase 3 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 439.3 Topological Polar Surface Area 69.4
Heavy Atom Count 28 Rotatable Bond Count 5
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
9867812
CAS Number
308242-62-8
TTD Drug ID
D0L5KU
Formula
C21H19BrN4O2
Canonical SMILES
CC1=CN=C2N1C3=C(C=C(C=C3)Br)C(=N[C@H]2CCC(=O)OC)C4=CC=CC=N4
InChI
InChI=1S/C21H19BrN4O2/c1-13-12-24-21-17(7-9-19(27)28-2)25-20(16-5-3-4-10-23-16)15-11-14(22)6-8-18(15)26(13)21/h3-6,8,10-12,17H,7,9H2,1-2H3/t17-/m0/s1
InChIKey
CYHWMBVXXDIZNZ-KRWDZBQOSA-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
CNS7054 DM005172 N. A. Hydrolysis - Hydrolysis 1 [3]
Methanol DM002019
887
Unclear 1 [5]
Remimazolam M02-1 DM005173 N. A. Oxidation - Oxidation 2 [5]
Remimazolam M02-2 DM005174 N. A. Oxidation - Oxidation 2 [5]
Remimazolam M03-1 DM005175 N. A. Conjugation - Glucuronidation 2 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013221 Remimazolam CNS7054 Hydrolysis - Hydrolysis Unclear [3]
MR013225 Remimazolam Methanol Unclear Unclear [5]
MR013222 CNS7054 Remimazolam M02-1 Oxidation - Oxidation Unclear [5]
MR013223 CNS7054 Remimazolam M02-2 Oxidation - Oxidation Unclear [5]
MR013224 CNS7054 Remimazolam M03-1 Conjugation - Glucuronidation Unclear [5]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Carboxylesterase 1 (CES1) DME0054 Homo sapiens
EST1_HUMAN
3.1.1.1
[3]
Carboxylesterase 1 (CES1) DME0054 Homo sapiens
EST1_HUMAN
3.1.1.1
[4]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8442).
3 Remimazolam: Non-Clinical and Clinical Profile of a New Sedative/Anesthetic Agent
4 Metabolism of remimazolam in primary human hepatocytes during continuous long-term infusion in a 3-D bioreactor system
5 Metabolite characterization of a novel sedative drug, remimazolam in human plasma and urine using ultra high-performance liquid chromatography coupled with synapt high-definition mass spectrometry

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