GSK-3179106

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Synonyms
Status
Molecule Category Free-form
UNII DY8BBK4G3C

Structure

InChI Key IDXKJSSOUXWLDB-UHFFFAOYSA-N
Smiles CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(C(C)(C)C(F)(F)F)on2)c(F)c1
InChI
InChI=1S/C22H21F4N3O4/c1-4-32-16-9-19(30)27-11-14(16)12-5-6-13(15(23)7-12)8-20(31)28-18-10-17(33-29-18)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,29,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H21F4N3O4
Molecular Weight 467.42
AlogP 4.59
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 97.22
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- 0.4-11.1 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 109 - - -
Enzyme Transferase
- - 12.59-40 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.4-109 - - -
Rattus norvegicus
- - 12.59-90 - -

Cross References

Resources Reference
ChEMBL CHEMBL3355009
FDA SRS DY8BBK4G3C
PubChem 78427026
SureChEMBL SCHEMBL16055027
ZINC ZINC000224319975
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