Details of the Drug

General Information of Drug (ID: DM2R496)

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
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 247.33
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C15H21NO2
IUPAC Name
1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
Canonical SMILES
CC(C)NCC(COC1=CC=CC2=C1C=CC2)O
InChI
MPGBPFMOOXKQRX-UHFFFAOYSA-N
InChIKey
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
Cross-matching ID
PubChem CID
71955
CAS Number
60607-68-3
DrugBank ID
DB08952
INTEDE ID
DR0869

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2D6 (CYP2D6)
Main DME 		DECB0K3 CP2D6_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 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.