IPA-3

Ligand id: 8940

Name: IPA-3

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 91.06
Molecular weight 350.04
XLogP 6.67
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-(2-hydroxynaphthalen-1-yl)disulfanylnaphthalen-2-ol
Synonyms
IPA3
Database Links
CAS Registry No. 42521-82-4 (source: PubChem)
ChEMBL Ligand CHEMBL472940
PubChem CID 521106
Search Google for chemical match using the InChIKey RFAXLXKIAKIUDT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RFAXLXKIAKIUDT
Search UniChem for chemical match using the InChIKey RFAXLXKIAKIUDT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RFAXLXKIAKIUDT
Comments
IPA-3 is a cell-permeable, non-ATP-competitive (allosteric), selective inhibitor of p21 protein (Cdc42/Rac)-activated kinase 1 (PAK1) [1]. IPA-3 binds covalently to the autoregulatory domain of PAK1, preventing its activation by Cdc42 [2].