Details of the Drug

General Information of Drug (ID: DM8WCXM)

Drug Name
Befunolol hci
Synonyms Bentox (TN)
Indication
Disease Entry ICD 11 Status REF
Glaucoma/ocular hypertension 9C61 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 327.8
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Chemical Identifiers
Formula
C16H22ClNO4
IUPAC Name
[3-[(2-acetyl-1-benzofuran-7-yl)oxy]-2-hydroxypropyl]-propan-2-ylazanium;chloride
Canonical SMILES
CC(C)[NH2+]CC(COC1=CC=CC2=C1OC(=C2)C(=O)C)O.[Cl-]
InChI
InChI=1S/C16H21NO4.ClH/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;1H
InChIKey
TVVTWOGRPVJKDJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
38286
ChEBI ID
CHEBI:31254
CAS Number
39543-79-8
TTD ID
D06REO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor (ADR) TTVIREA NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.