Details of the Drug

General Information of Drug (ID: DMI93AX)

• Drug Name: PMID25468267-Compound-54
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 279.33
  Logarithm of the Partition Coefficient (xlogp); -1.7
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C14H21N3O3
  IUPAC Name: 2-[[[2-[butyl(methyl)amino]-2-oxoethyl]amino]methyl]pyridine-4-carboxylic acid
  Canonical SMILES: CCCCN(C)C(=O)CNCC1=NC=CC(=C1)C(=O)O
  InChI: InChI=1S/C14H21N3O3/c1-3-4-7-17(2)13(18)10-15-9-12-8-11(14(19)20)5-6-16-12/h5-6,8,15H,3-4,7,9-10H2,1-2H3,(H,19,20)
  InChIKey: ZASDPPHIPJCPAA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 73670872
  TTD ID: D06XXJ

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.