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

General Information of Drug (ID: DR0220)
Drug Name
Bopindolol
Prodrug Info Bopindolol is the prodrug of 18-502
Synonyms
BOPINDOLOL; Bopindolol (INN); Bopindolol [INN]; Bopindololum [INN-Latin]; Sandonorm; Sandonorm (TN); UUOJIACWOAYWEZ-UHFFFAOYSA-N; Wandonorm; (+-)-4-(2-Benzoyloxy-3-tert-butylaminopropoxy)-2-methylindole; (+-)-Bopindolol; 1-(tert-Butylamino)-3-((2-methyl-1H-indol-4-yl)oxy)propan-2-yl benzoate; 2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[(2-methyl-1H-indol-4-yl)oxy]-, benzoate (ester); 62658-63-3; DSSTox_CID_2684; DSSTox_RID_76690; NCGC00163155-01
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 380.5 Topological Polar Surface Area 63.4
Heavy Atom Count 28 Rotatable Bond Count 9
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
44112
ChEBI ID
CHEBI:143782
CAS Number
62658-63-3
TTD Drug ID
D0H5MB
Formula
C23H28N2O3
Canonical SMILES
CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3
InChI
1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3
InChIKey
UUOJIACWOAYWEZ-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
18-502 DM006952
152662
Hydrolysis - Hydrolyzation 1 [3] , [4]
20-785 DM006953
152938
Oxidation - Oxidationn 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007567 Bopindolol 18-502 Hydrolysis - Hydrolyzation ES [3], [4]
MR007568 18-502 20-785 Oxidation - Oxidationn Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Esterases (ES) DMEN229 Homo sapiens Not Available Not Available [3] , [4]
References
1 Pharmaceutical Manufacturing Encyclopedia (Vols 1&2, 2nd Ed)
2 Application of substrate depletion assay to evaluation of CYP isoforms responsible for stereoselective metabolism of carvedilol. Drug Metab Pharmacokinet. 2016 Dec;31(6):425-432.
3 Bopindolol: pharmacological basis and clinical implications
4 Bopindolol. A review of its pharmacodynamic and pharmacokinetic properties and therapeutic efficacy

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