Details of the Drug

General Information of Drug (ID: DMAH1G7)

• Drug Name: PMID25468267-Compound-52
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 232.23
  Logarithm of the Partition Coefficient (xlogp); -1.9
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C12H12N2O3
  IUPAC Name: 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid
  Canonical SMILES: C1=COC(=C1)CNCC2=NC=CC(=C2)C(=O)O
  InChI: InChI=1S/C12H12N2O3/c15-12(16)9-3-4-14-10(6-9)7-13-8-11-2-1-5-17-11/h1-6,13H,7-8H2,(H,15,16)
  InChIKey: WAXTXDDUSDCZNA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 73670714
  TTD ID: D0J6OC

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.