GSK963   Click here for help

GtoPdb Ligand ID: 10132

Synonyms: GSK'963 | GSK′963A
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: GSK963 is a potent inhibitor of receptor interacting serine/threonine kinase 1 (RIPK1) [1] that is suitable as a tool compound to study the function of RIPK1 in vitro and in vivo and to explore its contribution to inflammatory disease pathogenesis. GSK963 is the S enantiomer. The R enantiomer (GSK962) is inactive and can be used as a negative control to confirm on-target effects.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 32.67
Molecular weight 230.14
XLogP 2.97
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(C(C)(C)C)N1N=CCC1c1ccccc1
Isomeric SMILES O=C(C(C)(C)C)N1N=CC[C@H]1c1ccccc1
InChI InChI=1S/C14H18N2O/c1-14(2,3)13(17)16-12(9-10-15-16)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t12-/m0/s1
InChI Key NJQVSLWJBLPTMD-LBPRGKRZSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2,2-dimethyl-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
Synonyms Click here for help
GSK'963 | GSK′963A
Database Links Click here for help
GtoPdb PubChem SID 381118842
PubChem CID 122703613
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