GSK-2636771

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: DW94IAT0LS

Structure
InChI Key XTKLTGBKIDQGQL-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR PI3-kinase p110-beta subunit inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
23-178 1-48 - - -
Enzyme
23-178 1-48 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Myeloma 2 D009101 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Stomach Neoplasms 1 D013274 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3188551
DrugBank DB11795
EPA CompTox DTXSID10160124
FDA SRS DW94IAT0LS
Guide to Pharmacology 7967
PubChem 56949517
SureChEMBL SCHEMBL1280998
ZINC ZINC000077024226
CONTENTS