illudalic acid

Ligand id: 8770

Name: illudalic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 83.83
Molecular weight 276.1
XLogP 2.55
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3,6-dihydroxy-8,8-dimethyl-1-oxo-3,4,7,9-tetrahydrocyclopenta[h]isochromene-5-carbaldehyde
Database Links
ChEMBL Ligand CHEMBL506661
PubChem CID 3653077
Search Google for chemical match using the InChIKey BDEDPKFUFGCVCJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BDEDPKFUFGCVCJ
Search UniChem for chemical match using the InChIKey BDEDPKFUFGCVCJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BDEDPKFUFGCVCJ
Comments
Illudalic acid selectively inhibits protein tyrosine phosphatase RTP Type F (LAR; PTPRF) [1].