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
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
Cross-matching ID
PubChem CID
71955
CAS Number
60607-68-3
UNII
8GU15N96I8
DrugBank ID
DB08952
INTEDE ID
DR0869
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.