Details of the Drug

General Information of Drug (ID: DMZIKN6)

• Drug Name: PMID27376512-Compound-Figure3CG
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 546.7
  Topological Polar Surface Area (xlogp); 6.9
  Rotatable Bond Count (rotbonds); 12
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C34H38N6O
  IUPAC Name: N-(3-phenylpropyl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
  Canonical SMILES: C1CN(CCC1COC2=CC3=C(C=C2)C(=NC=N3)NCCCC4=CC=CC=C4)CCNC5=CC=NC6=CC=CC=C65
  InChI: InChI=1S/C34H38N6O/c1-2-7-26(8-3-1)9-6-17-37-34-30-13-12-28(23-33(30)38-25-39-34)41-24-27-15-20-40(21-16-27)22-19-36-32-14-18-35-31-11-5-4-10-29(31)32/h1-5,7-8,10-14,18,23,25,27H,6,9,15-17,19-22,24H2,(H,35,36)(H,37,38,39)
  InChIKey: DPNGRMNVFKZZSM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 117967861
  TTD ID: D03LZO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA [cytosine-5]-methyltransferase 3A (DNMT3A)	TTJUALD	DNM3A_HUMAN	Inhibitor	[1]

References

• [1] DNA methyltransferase inhibitors: an updated patent review (2012-2015).Expert Opin Ther Pat. 2016 Sep;26(9):1017-30.