Details of the Drug

General Information of Drug (ID: DMWHN1O)

• Drug Name: AKOS020330481
• Synonyms: 3-[(4-methoxybenzyl)amino]pyridine-4-carboxylic acid; SCHEMBL4855920; US9611221, Example 7; XKZFNTZMCLZYHZ-UHFFFAOYSA-N; BDBM314103; AKOS020330481; 3[(4-methoxybenzyl)amino]pyridine-4-carboxylic acid
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 258.269
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C14H14N2O3
  IUPAC Name: 3-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
  Canonical SMILES: COC1=CC=C(C=C1)CNC2=C(C=CN=C2)C(=O)O
  InChI: InChI=1S/C14H14N2O3/c1-19-11-4-2-10(3-5-11)8-16-13-9-15-7-6-12(13)14(17)18/h2-7,9,16H,8H2,1H3,(H,17,18)
  InChIKey: XKZFNTZMCLZYHZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 59699608
  TTD ID: D0NG8M

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.