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

General Information of Drug (ID: DR0869)
Drug Name
Indenolol
Synonyms
Indenolol; Indenolol [INN]; Indenolol [BAN:INN]; Indenolol [INN:BAN]; Indenololum; Indenololum [INN-Latin]; Sch 28316 Z; Sch 28316Z; Securpres; 1-(4-Indenyloxy)-3-isopropylamino-2-propanol; 1-(Inden-4(or 7)-yloxy)-3-(isopropylamino)-2-propanol; 106656-86-4; 2-Propanol, 1-(1H-inden-4-yloxy)-3-((1-methylethyl)amino)-; 2-Propanol, 1-(1H-inden-4-yloxy)-3-[(1-methylethyl)amino]-; 4-(2-Hydroxy-3-isopropylaminopropoxy)indene; 60607-68-3; AC1L2H51; AC1Q77JA; ACMC-20macf; C15H27NO2; CHEMBL153585; EINECS 262-323-5; SCHEMBL79021; YB-2
Indication Cardiac arrhythmia [ICD11: BC65] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 247.33 Topological Polar Surface Area 41.5
Heavy Atom Count 18 Rotatable Bond Count 6
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
71955
CAS Number
60607-68-3
Formula
C15H21NO2
Canonical SMILES
CC(C)NCC(COC1=CC=CC2=C1C=CC2)O
InChI
1S/C15H21NO2/c1-11(2)16-9-13(17)10-18-15-8-4-6-12-5-3-7-14(12)15/h3-4,6-8,11,13,16-17H,5,9-10H2,1-2H3
InChIKey
MPGBPFMOOXKQRX-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
Indenolol M1 PDM007393 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Indenolol M2 PDM007394 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 Chiral separation of beta-adrenergic blockers on CelluCoat column by HPLC. Talanta. 2009 Apr 30;78(2):458-63.
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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