Details of the Drug

General Information of Drug (ID: DMAI19Z)

• Drug Name: PMID25468267-Compound-56
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 414.5
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 12
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C22H30N4O4
  IUPAC Name: (4-methoxyphenyl) 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxylate
  Canonical SMILES: CCN(CCN(C)C)C(=O)CNCC1=NC=CC(=C1)C(=O)OC2=CC=C(C=C2)OC
  InChI: InChI=1S/C22H30N4O4/c1-5-26(13-12-25(2)3)21(27)16-23-15-18-14-17(10-11-24-18)22(28)30-20-8-6-19(29-4)7-9-20/h6-11,14,23H,5,12-13,15-16H2,1-4H3
  InChIKey: VCJMVGNCXKDPNL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 90093146
  TTD ID: D07CYB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lysine-specific demethylase 4C (KDM4C)	TTV8CRH	KDM4C_HUMAN	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.