Details of the Drug

General Information of Drug (ID: DMKHD1M)

Drug Name
4,5-Bis(4-methoxyphenyl)-1,2-selenazole
Synonyms CHEMBL470304; 4,5-Bis(4-methoxyphenyl)-1,2-selenazole
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 344.3
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C17H15NO2Se
IUPAC Name
4,5-bis(4-methoxyphenyl)-1,2-selenazole
Canonical SMILES
COC1=CC=C(C=C1)C2=C([Se]N=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C17H15NO2Se/c1-19-14-7-3-12(4-8-14)16-11-18-21-17(16)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3
InChIKey
QSLNOYIPCSNQKT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24884690
ChEBI ID
CHEMBL470304
TTD ID
D0D0JE
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prostaglandin G/H synthase 1 (COX-1) TT8NGED PGH1_HUMAN Inhibitor [1]
Prostaglandin G/H synthase 2 (COX-2) TTVKILB PGH2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Prostaglandin G/H synthase 2 (COX-2) DTT PTGS2 7.93E-04 -0.29 -0.34
Prostaglandin G/H synthase 1 (COX-1) DTT PTGS1 3.97E-03 0.16 0.43
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Investigations concerning the COX/5-LOX inhibiting and hydroxyl radical scavenging potencies of novel 4,5-diaryl isoselenazoles. Eur J Med Chem. 2008 Jun;43(6):1152-9.