FRAX597

Ligand id: 8939

Name: FRAX597

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 105.73
Molecular weight 557.18
XLogP 4.41
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
Database Links
CAS Registry No. 1286739-19-2 (source: PubChem)
PubChem CID 70934541
RCSB PDB Ligand XR1
Search Google for chemical match using the InChIKey DHUJCQOUWQMVCG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DHUJCQOUWQMVCG
Search UniChem for chemical match using the InChIKey DHUJCQOUWQMVCG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DHUJCQOUWQMVCG
SynPHARM 83171 (in complex with p21 (RAC1) activated kinase 1)
Comments
FRAX597 is an inhibitor of group 1 p21 protein (Cdc42/Rac)-activated kinases (PAK1, PAK2 and PAK3) [1], exhibiting experimental anti-cancer action.