Syk inhibitor   

GtoPdb Ligand ID: 6046

Synonyms: K00564a | spleen tyrosine kinase inhibitor
Compound class: Synthetic organic
Comment: This is compound 2 in [3].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 102.57
Molecular weight 353.08
XLogP 1.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1Nc2c(C1=Cc1cn(c3c1cccc3)C)cc(cc2)S(=O)(=O)N
Isomeric SMILES O=C1Nc2c(/C/1=C/c1cn(c3c1cccc3)C)cc(cc2)S(=O)(=O)N
InChI InChI=1S/C18H15N3O3S/c1-21-10-11(13-4-2-3-5-17(13)21)8-15-14-9-12(25(19,23)24)6-7-16(14)20-18(15)22/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-8-
InChI Key MLKHXLFEYOOYEY-NVNXTCNLSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(3Z)-3-[(1-methyl-1H-indol-3-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide
Synonyms
K00564a | spleen tyrosine kinase inhibitor
Database Links
CAS Registry No. 622387-85-3
ChEMBL Ligand CHEMBL104279
GtoPdb PubChem SID 178102668
PubChem CID 6419747
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