Details of the Drug | DrugMAP

General Information of Drug (ID: DMNPC0H)

Drug Name	PMID25468267-Compound-51
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 1	Molecular Weight (mw)			223.27
	Logarithm of the Partition Coefficient (xlogp)			-2.5
	Rotatable Bond Count (rotbonds)			6
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C11H17N3O2 IUPAC Name 2-[[2-(dimethylamino)ethylamino]methyl]pyridine-4-carboxylic acid Canonical SMILES CN(C)CCNCC1=NC=CC(=C1)C(=O)O InChI InChI=1S/C11H17N3O2/c1-14(2)6-5-12-8-10-7-9(11(15)16)3-4-13-10/h3-4,7,12H,5-6,8H2,1-2H3,(H,15,16) InChIKey SAAOFVWGGZSWSS-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 73670709 TTD ID D05YBG

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]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	KDM4 histone demethylase inhibitors for anti-cancer agents: a patent review.Expert Opin Ther Pat. 2015 Feb;25(2):135-44.