Details of the Drug

General Information of Drug (ID: DMY0P86)

Drug Name
5-(4-Chlorophenyl)-4-p-tolyl-1,2-selenazole
Synonyms CHEMBL513405; 5-(4-Chlorophenyl)-4-p-tolyl-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 332.7
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Chemical Identifiers
Formula
C16H12ClNSe
IUPAC Name
5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2-selenazole
Canonical SMILES
CC1=CC=C(C=C1)C2=C([Se]N=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H12ClNSe/c1-11-2-4-12(5-3-11)15-10-18-19-16(15)13-6-8-14(17)9-7-13/h2-10H,1H3
InChIKey
SIYWUUCHURNUOK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24884692
ChEBI ID
CHEMBL513405
TTD ID
D08RYB
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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]
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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.