Details of the Drug | DrugMAP

General Information of Drug (ID: DMONWYI)

Drug Name	PMID25468267-Compound-53
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			226.3
	Logarithm of the Partition Coefficient (xlogp)			-1.8
	Rotatable Bond Count (rotbonds)			6
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C10H14N2O2S IUPAC Name 2-[(2-methylsulfanylethylamino)methyl]pyridine-4-carboxylic acid Canonical SMILES CSCCNCC1=NC=CC(=C1)C(=O)O InChI InChI=1S/C10H14N2O2S/c1-15-5-4-11-7-9-6-8(10(13)14)2-3-12-9/h2-3,6,11H,4-5,7H2,1H3,(H,13,14) InChIKey RTKPPOFYHYGKKG-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 73670871 TTD ID D0EY9Y

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.