Details of the Drug | DrugMAP

General Information of Drug (ID: DM3U7RN)

Drug Name	PMID27376512-Compound-PG-11048
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#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 CHEBI:93760 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]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

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