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

General Information of Drug (ID: DR1027)
Drug Name
Mepindolol
Synonyms
Betagon; Corindolan; LF 17895; Mepicor; Mepindolol sulfate; Mepindolol sulfate salt; SHE 222; SHE-222; sulfuric acid; 1-[(2-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol; AC1OCEQH; Bis(4-(2-hydroxy-3-(isopropylamino)propoxy)-2-methyl-1H-indole) sulphate; CTK8J3417; EINECS 260-153-6
Indication Glaucoma [ICD11: 9C61] Investigative [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 622.8 Topological Polar Surface Area 198
Heavy Atom Count 43 Rotatable Bond Count 12
Hydrogen Bond Donor Count 8 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
6917859
CAS Number
23694-81-7
TTD Drug ID
D0O5YZ
Formula
C30H46N4O8S
Canonical SMILES
CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)C)O.CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)C)O.OS(=O)(=O)O
InChI
1S/2C15H22N2O2.H2O4S/c2*1-10(2)16-8-12(18)9-19-15-6-4-5-14-13(15)7-11(3)17-14;1-5(2,3)4/h2*4-7,10,12,16-18H,8-9H2,1-3H3;(H2,1,2,3,4)
InChIKey
PNYFXKOIFMZVQC-UHFFFAOYSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Mepindolol M1 PDM007574 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Mepindolol M2 PDM007575 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
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]
References
1 COMPARATIVE STUDY OF THE CHIRAL RESOLUTION OF beta-BLOCKERS ON CELLULOSE TRIS (3,5-DIMETHYL-PHENYLCARBAMATE) PHASES IN NORMAL AND REVERSED PHASE MODES. Journal of Liquid Chromatography Related Technologies, 2001, 24(16):2493-2504.
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.

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