Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H22ClN5O2 |
Molecular Weight | 423.8961 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCN=C(C[C@@]1([H])c2nnc(C)n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)O
InChI
InChIKey=AAAQFGUYHFJNHI-SFHVURJKSA-N
InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
Molecular Formula | C22H22ClN5O2 |
Molecular Weight | 423.8961 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
DescriptionSources: http://adisinsight.springer.com/drugs/800036177https://www.ncbi.nlm.nih.gov/pubmed/21068722Curator's Comment:: Description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/21068722 | https://www.ncbi.nlm.nih.gov/pubmed/24015967
Sources: http://adisinsight.springer.com/drugs/800036177https://www.ncbi.nlm.nih.gov/pubmed/21068722
Curator's Comment:: Description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/21068722 | https://www.ncbi.nlm.nih.gov/pubmed/24015967
GSK 525768A is inactive enantiomer of BET inhibitor, compound I-BET (GSK525762A). It was used as a negative controls in studies of I-BET.
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL1795186 |
42.4 nM [IC50] | ||
Target ID: CHEMBL1293289 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21568322 |
32.5 nM [IC50] | ||
Target ID: CHEMBL1163125 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21568322 |
36.1 nM [IC50] | ||
Target ID: CHEMBL1163125 |
|||
Target ID: CHEMBL1293289 |
|||
Target ID: CHEMBL1795186 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
|||
Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
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Cmax
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
918.6 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/32328561 |
100 mg 1 times / day multiple, oral dose: 100 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
GSK-525762 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
1080.5 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/32328561 |
100 mg 1 times / day single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered: |
GSK-525762 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
AUC
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
3818.5 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/32328561 |
100 mg 1 times / day multiple, oral dose: 100 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
GSK-525762 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
7294.6 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/32328561 |
100 mg 1 times / day single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered: |
GSK-525762 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
T1/2
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
3.82 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/32328561 |
100 mg 1 times / day multiple, oral dose: 100 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
GSK-525762 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
6.2 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/32328561 |
100 mg 1 times / day single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered: |
GSK-525762 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
PubMed
Title | Date | PubMed |
---|---|---|
Liver X receptors as regulators of macrophage inflammatory and metabolic pathways. | 2011 Aug |
|
Discovery and characterization of small molecule inhibitors of the BET family bromodomains. | 2011 Jun 9 |
|
Selective inhibition of CD4+ T-cell cytokine production and autoimmunity by BET protein and c-Myc inhibitors. | 2012 Sep 4 |
|
Potent antimyeloma activity of the novel bromodomain inhibitors I-BET151 and I-BET762. | 2014 Jan 30 |
|
An epigenomic approach to therapy for tamoxifen-resistant breast cancer. | 2014 Jul |
|
BET inhibitor resistance emerges from leukaemia stem cells. | 2015 Sep 24 |
|
CCAT1 is an enhancer-templated RNA that predicts BET sensitivity in colorectal cancer. | 2016 Feb |
Sample Use Guides
In Vivo Use Guide
Sources: http://adisinsight.springer.com/drugs/800036177
GSK 525762, at the 60-100 mg QD doses, resulted in partial responses in two patients at 15 and 23 weeks, respectively, and stable disease in four patients, according to data from 11 treated patients with NUT midline carcinoma, in a phase I/II study
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/22912406
125-500 nM I-BET-762 (GSK 525762) treatment differentially alters CD4+ T-cell cytokine production
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 16:41:54 UTC 2021
by
admin
on
Sat Jun 26 16:41:54 UTC 2021
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Record UNII |
5QIO6SRZ2R
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Record Status |
Validated (UNII)
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Record Version |
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C128462
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C101538
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1260907-17-2
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ACTIVE MOIETY |