Details of the Drug | DrugMAP

General Information of Drug (ID: DMQ5AJ6)

Drug Name	Selenium compound 3
Synonyms	PMID25468267-Compound-30
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight			274.19
	Logarithm of the Partition Coefficient			Not Available
	Rotatable Bond Count			1
	Hydrogen Bond Donor Count			0
	Hydrogen Bond Acceptor Count			1
Chemical Identifiers	Formula C13H9NOSe IUPAC Name 2-phenyl-1,2-benzoselenazol-3-one Canonical SMILES C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2 InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H InChIKey DYEFUKCXAQOFHX-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 3194 ChEBI ID CHEBI:77543 CAS Number 60940-34-3 DrugBank ID DB12610 TTD ID D0X6SJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lysine-specific demethylase 4A (KDM4A)	TTZHPB8	KDM4A_HUMAN	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.