GSK2982772

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Synonyms
Status
Molecule Category Free-form
UNII T5W3M0VO9B

Structure

InChI Key LYPAFUINURXJSG-AWEZNQCLSA-N
Smiles CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccccc21
InChI
InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H19N5O3
Molecular Weight 377.4
AlogP 1.55
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 100.21
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RIPK family
- 0.4-16 - 0.9772 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
3.6 0.4-16 - 0.9772 -
Macaca fascicularis
- 4 - - -
Macaca mulatta
- 20 - - -
Oryctolagus cuniculus
- 790 - - -

Cross References

Resources Reference
ChEMBL CHEMBL4071864
FDA SRS T5W3M0VO9B
Guide to Pharmacology 9554
PDB 7MJ
SureChEMBL SCHEMBL15956219
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