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

Indication

Disease Entry	ICD 11	Status	REF
Glaucoma/ocular hypertension	9C61	Investigative	[1]

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

291.34

Topological Polar Surface Area (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: ZPQPDBIHYCBNIG-UHFFFAOYSA-N
InChIKey: 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

Cross-matching ID

PubChem CID: 2309
ChEBI ID: CHEBI:135212
CAS Number: 39552-01-7
DrugBank ID: DB09013
INTEDE ID: DR0183

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	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

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10	Pharmacogenetics of schizophrenia. Am J Med Genet. 2000 Spring;97(1):98-106.
11	Roles of CYP2A6 and CYP2B6 in nicotine C-oxidation by human liver microsomes. Arch Toxicol. 1999 Mar;73(2):65-70.
12	Structure-activity relationship for human cytochrome P450 substrates and inhibitors. Drug Metab Rev. 2002 Feb-May;34(1-2):69-82.