Details
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)
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/23674493 | http://adisinsight.springer.com/drugs/800035521Curator's Comment: Description was created based on several sources, including http://www.selleckchem.com/products/gsk2636771.html
Sources: https://www.ncbi.nlm.nih.gov/pubmed/23674493 | http://adisinsight.springer.com/drugs/800035521
Curator's Comment: Description was created based on several sources, including http://www.selleckchem.com/products/gsk2636771.html
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
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL3145 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25387153 |
0.089 µM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
|||
Primary | Unknown Approved UseUnknown |
Cmax
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
15078 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28645941 |
400 mg 1 times / day multiple, oral dose: 400 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
GSK-2636771 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
29530 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28645941 |
500 mg 2 times / day multiple, oral dose: 500 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
GSK-2636771 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
5493 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28645941 |
400 mg single, oral dose: 400 mg route of administration: Oral experiment type: SINGLE co-administered: |
GSK-2636771 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
7221 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28645941 |
500 mg single, oral dose: 500 mg route of administration: Oral experiment type: SINGLE co-administered: |
GSK-2636771 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
AUC
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
205014 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28645941 |
400 mg 1 times / day multiple, oral dose: 400 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
GSK-2636771 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
485325 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28645941 |
500 mg 2 times / day multiple, oral dose: 500 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
GSK-2636771 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
161874 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28645941 |
400 mg single, oral dose: 400 mg route of administration: Oral experiment type: SINGLE co-administered: |
GSK-2636771 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
190798 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28645941 |
500 mg single, oral dose: 500 mg route of administration: Oral experiment type: SINGLE co-administered: |
GSK-2636771 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
T1/2
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
23.2 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28645941 |
400 mg single, oral dose: 400 mg route of administration: Oral experiment type: SINGLE co-administered: |
GSK-2636771 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
23 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28645941 |
500 mg single, oral dose: 500 mg route of administration: Oral experiment type: SINGLE co-administered: |
GSK-2636771 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT02615730
Increasing dose levels of GSK-2636771 (300 mg or 400 mg once daily)
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/27903677
GSK-2636771 (1 uM) durably suppressed P-AKT levels in ZR75-1 and MDA-MB-415 cells
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DB11795
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CHEMBL3188551
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C106261
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300000034864
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56949517
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DW94IAT0LS
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DTXSID10160124
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1372540-25-4
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ACTIVE MOIETY
SALT/SOLVATE (PARENT)