Details of the Drug

General Information of Drug (ID: DMIVJ2W)

• Drug Name: PMID25468267-Compound-50
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 260.29
  Logarithm of the Partition Coefficient (xlogp); -2.4
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C13H16N4O2
  IUPAC Name: 2-[(3-imidazol-1-ylpropylamino)methyl]pyridine-4-carboxylic acid
  Canonical SMILES: C1=CN=C(C=C1C(=O)O)CNCCCN2C=CN=C2
  InChI: InChI=1S/C13H16N4O2/c18-13(19)11-2-4-16-12(8-11)9-14-3-1-6-17-7-5-15-10-17/h2,4-5,7-8,10,14H,1,3,6,9H2,(H,18,19)
  InChIKey: HGXLVPBZRFKRHK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 90093815
  TTD ID: D0YZ1B

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lysine-specific demethylase 4 (KDM4)	TT0RGE9	NOUNIPROTAC	Inhibitor	[1]

References

• [1] KDM4 histone demethylase inhibitors for anti-cancer agents: a patent review.Expert Opin Ther Pat. 2015 Feb;25(2):135-44.