| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H22F3N3O3 |
| Molecular Weight | 433.4236 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=NC2=C(C=C(C=C2C(O)=O)N3CCOCC3)N1CC4=CC=CC(=C4C)C(F)(F)F
InChI
InChIKey=XTKLTGBKIDQGQL-UHFFFAOYSA-N
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)
| Molecular Formula | C22H22F3N3O3 |
| Molecular Weight | 433.4236 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
GSK-2636771 is a potent, orally bioavailable, PI3Kβ-selective inhibitor, sensitive to PTEN null cell lines. GSK-2636771 shows selectively inhibitory activity in PTEN null cell lines (human prostate adenocarcinoma PC-3 and breast cancer HCC70) with EC50 of 36 nM and 72 nM, respectively. GSK-2636771 significantly decreases cell viability in p110β-reliant PTEN-deficient PC3 prostate and BT549 and HCC70 breast cancer cell lines, and leads to a marked decrease of AKT phosphorylation only in the control prostate and breast cancer cell lines. On April 1 2016 GlaxoSmithKine completes a phase-I/II trial for Solid tumours (Late-stage disease) in USA, United Kingdom and South Korea (NCT01458067).
Originator
Approval Year
Cmax
AUC
Sourcing
PubMed
Patents
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SALT/SOLVATE -> PARENT |
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TARGET -> INHIBITOR |
58 NANOMOLAR (average) |
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TARGET -> INHIBITOR |
IC50
5.2 NANOMOLAR (average) |
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