Details of the Drug

General Information of Drug (ID: DMQ5AJ6)

Drug Name
Selenium compound 3
Synonyms PMID25468267-Compound-30
Drug Type
Small molecular drug
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
CHEMBL51085
CAS Number
60940-34-3
TTD ID
D0X6SJ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
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.