Details of the Drug

General Information of Drug (ID: DMSD354)

• Drug Name: US9611221, Example 9
• Synonyms: 3-[(biphenyl-4-ylmethyl)amino]pyridine-4-carboxylic acid; US9611221, Example 9; SCHEMBL15286753; RNBCOBWQQCESLL-UHFFFAOYSA-N; BDBM314105
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 304.3
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C19H16N2O2
  IUPAC Name: 3-[(4-phenylphenyl)methylamino]pyridine-4-carboxylic acid
  Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CNC3=C(C=CN=C3)C(=O)O
  InChI: InChI=1S/C19H16N2O2/c22-19(23)17-10-11-20-13-18(17)21-12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-11,13,21H,12H2,(H,22,23)
  InChIKey: RNBCOBWQQCESLL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71766727
  TTD ID: D09CWB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lysine-specific demethylase 5A (KDM5A)	TTIG67W	KDM5A_HUMAN	Inhibitor	[1]

References

• [1] Histone demethylase inhibitors. US9611221.