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
CHEMBL31254
CAS Number
39543-79-8
TTD ID
D06REO
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.