TAK-659

Ligand id: 9600

Name: TAK-659

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 97.86
Molecular weight 344.18
XLogP -0.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
Synonyms
compound 3b [PMID: 27839918]
Database Links
PubChem CID 53252276
RCSB PDB Ligand 7KG
Search Google for chemical match using the InChIKey MJHOMTRKVMKCNE-NWDGAFQWSA-N
Search Google for chemicals with the same backbone MJHOMTRKVMKCNE
Search UniChem for chemical match using the InChIKey MJHOMTRKVMKCNE-NWDGAFQWSA-N
Search UniChem for chemicals with the same backbone MJHOMTRKVMKCNE
Comments
TAK-659 an orally available inhibitor of spleen tyrosine kinase (SYK), which is in clinical development for solid tumour and lymphoma malignancies. We have drawn the structure as represented in [1].