compound 6 [PMID: 17948018]

Ligand id: 8660

Name: compound 6 [PMID: 17948018]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 34.14
Molecular weight 281.88
XLogP 1.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4,5,6,7-tetrachloroindene-1,3-dione
Database Links
CAS Registry No. 30675-13-9 (source: PubChem)
ChEMBL Ligand CHEMBL1241028
GtoPdb PubChem SID 252166860
PubChem CID 2729042
Search Google for chemical match using the InChIKey IDLAOWFFKWRNHB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IDLAOWFFKWRNHB
Search UniChem for chemical match using the InChIKey IDLAOWFFKWRNHB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IDLAOWFFKWRNHB
Comments
Compound 6 is reported to inhibit ubiquitin carboxyl-terminal esterase L3 (UCHL3) with >100-fold selectivity over the L2 isozyme (UCHL2) [1].