General Information of Drug (ID: DM2XLHY)

Drug Name
N-benzyl-5-(4-chlorophenyl)nicotinamide
Synonyms CHEMBL1271417; N-benzyl-5-(4-chlorophenyl)nicotinamide
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) 322.8
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C19H15ClN2O
IUPAC Name
N-benzyl-5-(4-chlorophenyl)pyridine-3-carboxamide
Canonical SMILES
C1=CC=C(C=C1)CNC(=O)C2=CN=CC(=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H15ClN2O/c20-18-8-6-15(7-9-18)16-10-17(13-21-12-16)19(23)22-11-14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H,22,23)
InChIKey
FWHXSLFSGPLDBM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46032908
TTD ID
D0W2BP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated sodium channel alpha Nav1.8 (SCN10A) TT90XZ8 SCNAA_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Voltage-gated sodium channel alpha Nav1.8 (SCN10A) DTT SCN10A 9.89E-01 -0.16 -0.31
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Subtype-selective Na(v)1.8 sodium channel blockers: identification of potent, orally active nicotinamide derivatives. Bioorg Med Chem Lett. 2010 Nov 15;20(22):6812-5.