Details of the Drug | DrugMAP

General Information of Drug (ID: DMBPT9Z)

Drug Name	PMID25468267-Compound-48
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 1	Molecular Weight (mw)			421.5
	Logarithm of the Partition Coefficient (xlogp)			-0.7
	Rotatable Bond Count (rotbonds)			17
	Hydrogen Bond Donor Count (hbonddonor)			4
	Hydrogen Bond Acceptor Count (hbondacc)			6
Chemical Identifiers	Formula C22H35N3O5 IUPAC Name 4-[6-[(6-anilino-6-oxohexyl)amino]hexyl-hydroxyamino]-4-oxobutanoic acid Canonical SMILES C1=CC=C(C=C1)NC(=O)CCCCCNCCCCCCN(C(=O)CCC(=O)O)O InChI InChI=1S/C22H35N3O5/c26-20(24-19-11-5-3-6-12-19)13-7-4-9-17-23-16-8-1-2-10-18-25(30)21(27)14-15-22(28)29/h3,5-6,11-12,23,30H,1-2,4,7-10,13-18H2,(H,24,26)(H,28,29) InChIKey FJNPYJKFIGGTME-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 89592590 TTD ID D0B4VO

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.