Details of the Drug

General Information of Drug (ID: DM31E6J)

Drug Name
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
Synonyms CHEMBL16450; 2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 297.4
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C19H23NO2
IUPAC Name
2-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
Canonical SMILES
CC(C)C(CNC(=O)C1=CC=CC=C1OC)C2=CC=CC=C2
InChI
InChI=1S/C19H23NO2/c1-14(2)17(15-9-5-4-6-10-15)13-20-19(21)16-11-7-8-12-18(16)22-3/h4-12,14,17H,13H2,1-3H3,(H,20,21)
InChIKey
XVFLGHVOMBWJAC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44270882
ChEBI ID
CHEMBL16450
TTD ID
D04UVC
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
Voltage-gated potassium channel Kv1.3 (KCNA3) TTY3UE6 KCNA3_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Benzamide derivatives as blockers of Kv1.3 ion channel. Bioorg Med Chem Lett. 2003 Mar 24;13(6):1161-4.