GSK-2636771

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Synonyms
Status
Molecule Category Free-form
UNII DW94IAT0LS
EPA CompTox DTXSID10160124

Structure

InChI Key XTKLTGBKIDQGQL-UHFFFAOYSA-N
Smiles Cc1c(Cn2c(C)nc3c(C(=O)O)cc(N4CCOCC4)cc32)cccc1C(F)(F)F
InChI
InChI=1S/C22H22F3N3O3/c1-13-15(4-3-5-18(13)22(23,24)25)12-28-14(2)26-20-17(21(29)30)10-16(11-19(20)28)27-6-8-31-9-7-27/h3-5,10-11H,6-9,12H2,1-2H3,(H,29,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H22F3N3O3
Molecular Weight 433.43
AlogP 4.26
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 67.59
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
PI3-kinase p110-beta subunit inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
23-178 0.89-300 - - -
Enzyme
23-178 0.89-300 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
23-178 0.89-300 - - -

Target Conservation

Protein: PI3-kinase p110-beta subunit
Description: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Organism : Homo sapiens
P42338 ENSG00000051382

Cross References

Resources Reference
ChEMBL CHEMBL3188551
DrugBank DB11795
FDA SRS DW94IAT0LS
Guide to Pharmacology 7967
PubChem 56949517
SureChEMBL SCHEMBL1280998
ZINC ZINC000077024226
CONTENTS