Details of the Drug

General Information of Drug (ID: DMQA4JU)

Drug Name
Berlafenone
Synonyms Bipranol; GK-23G
Indication
Disease Entry ICD 11 Status REF
Heart arrhythmia BC65 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 299.4
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H25NO2
IUPAC Name
1-(tert-butylamino)-3-(2-phenylphenoxy)propan-2-ol
Canonical SMILES
CC(C)(C)NCC(COC1=CC=CC=C1C2=CC=CC=C2)O
InChI
InChI=1S/C19H25NO2/c1-19(2,3)20-13-16(21)14-22-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-12,16,20-21H,13-14H2,1-3H3
InChIKey
DBHPVKNFKBKJCE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
65691
ChEBI ID
CHEMBL2104145
CAS Number
18965-97-4
TTD ID
D0V1HK
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Sodium channel unspecific (NaC) TTRK8B9 NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000213)
2 WO patent application no. 19990639849, Novel sodium channel drugs and uses.