Details of the Drug

General Information of Drug (ID: DMV15JC)

Drug Name
Befunolol
Synonyms
Befunolol; Befunolol (INN); Befunolol HCl; Befunolol [INN]; Befunololum; Befunololum [INN-Latin]; 1-(7-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-2-benzofuranyl)ethanone; 1-(7-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-2-benzofuranyl)ethanone hydrochloride; 2-Acetyl-7-(2-hyroxy-3-isopropylaminopropoxy)benzofuran; 39552-01-7; 7-(2-Hydroxy-3-(isopropylamino)propoxy)-2-benzofuranyl methyl ketone; AC1L1DE0; BRN 3620832; C16H21NO4; KETONE, 7-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)-2-BENZOFURANYL METHYL; SCHEMBL78720
ATC Code
S01ED06: Befunolol
S01ED: Beta blocking agents
S01E: ANTIGLAUCOMA PREPARATIONS AND MIOTICS
S01: OPHTHALMOLOGICALS
S: SENSORY ORGANS
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 291.34
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H21NO4
IUPAC Name
1-[7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-yl]ethanone
Canonical SMILES
CC(C)NCC(COC1=CC=CC2=C1OC(=C2)C(=O)C)O
InChI
InChI=1S/C16H21NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10,13,17,19H,8-9H2,1-3H3
InChIKey
ZPQPDBIHYCBNIG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2309
ChEBI ID
CHEMBL135212
CAS Number
39552-01-7
UNII
418546MT3A
DrugBank ID
DB09013
INTEDE ID
DR0183
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.