Details of the Drug

General Information of Drug (ID: DM3U7RN)

• Drug Name: PMID27376512-Compound-PG-11048
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 256.43
  Logarithm of the Partition Coefficient (xlogp); 0.3
  Rotatable Bond Count (rotbonds); 14
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C14H32N4
  IUPAC Name: (E)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine
  Canonical SMILES: CCNCCCNC/C=C/CNCCCNCC
  InChI: InChI=1S/C14H32N4/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2/h5-6,15-18H,3-4,7-14H2,1-2H3/b6-5+
  InChIKey: XFWLTFZLLXVKDY-AATRIKPKSA-N
• Cross-matching ID:
  PubChem CID: 6532281
  ChEBI ID: CHEMBL93760
  TTD ID: D08FOG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA [cytosine-5]-methyltransferase (DNMT)	TTHVCUP	NOUNIPROTAC	Inhibitor	[1]
Histone deacetylase (HDAC)	TTBH0VX	NOUNIPROTAC	Inhibitor	[1]

References

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