GSK143   Click here for help

GtoPdb Ligand ID: 9388

Synonyms: compound 20 [PMID: 21903390]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: GSK143 a potent, selective and orally active spleen tyrosine kinase (SYK) inhibitor [1] (compound 20 therein). It has favourable physicochemical properties including good aqueous solubility.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 128.18
Molecular weight 342.18
XLogP 1.05
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC1COCCC1Nc1ncc(c(n1)Nc1ccc(cc1)C)C(=O)N
Isomeric SMILES N[C@@H]1COCC[C@@H]1Nc1ncc(c(n1)Nc1ccc(cc1)C)C(=O)N
InChI InChI=1S/C17H22N6O2/c1-10-2-4-11(5-3-10)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-25-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m1/s1
InChI Key KBPYMFSSFLOJPH-KGLIPLIRSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-{[(3S,4S)-3-aminooxan-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide
Synonyms Click here for help
compound 20 [PMID: 21903390]
Database Links Click here for help
GtoPdb PubChem SID 328083490
PubChem CID 124037380
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SynPHARM 84009 (in complex with spleen associated tyrosine kinase)