mivavotinib   

GtoPdb Ligand ID: 9600

Synonyms: compound 3b [PMID: 27839918] | TAK-659 | TAK659
Compound class: Synthetic organic
Comment: Mivavotinib (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].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 97.86
Molecular weight 344.18
XLogP 1.44
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NC1CCCCC1Nc1nc(c2cnn(c2)C)c2c(c1F)CNC2=O
Isomeric SMILES N[C@H]1CCCC[C@H]1Nc1nc(c2cnn(c2)C)c2c(c1F)CNC2=O
InChI InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1
InChI Key MJHOMTRKVMKCNE-NWDGAFQWSA-N
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
International Nonproprietary Names
INN number INN
10836 mivavotinib
Synonyms
compound 3b [PMID: 27839918] | TAK-659 | TAK659
Database Links
GtoPdb PubChem SID 340590230
PubChem CID 53252276
RCSB PDB Ligand 7KG
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