Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H22ClN5O2 |
Molecular Weight | 423.895 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=CC(OC)=CC=C3N4C(C)=NN=C14
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
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/21068722http://adisinsight.springer.com/drugs/800036177Curator'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: https://www.ncbi.nlm.nih.gov/pubmed/21068722http://adisinsight.springer.com/drugs/800036177
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
I-BET-762 (GSK 525762) is a small molecule benzodiazepine, by 'mimicking' acetylated histones interferes with the recognition of acetylated histones by BET family of bromodomains (BRD2, BRD3, and BRD4), which disrupts chromatin remodeling and gene expression. Prevention of the expression of certain growth-promoting genes may lead to an inhibition of tumour cell growth. GlaxoSmithKline is developing GSK 525762 for the oral treatment of solid tumours and haematological malignancies.
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 |
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Target ID: CHEMBL1293289 |
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Target ID: CHEMBL1795186 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
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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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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 |
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Discovery and characterization of small molecule inhibitors of the BET family bromodomains. | 2011 Jun 9 |
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Discovery of epigenetic regulator I-BET762: lead optimization to afford a clinical candidate inhibitor of the BET bromodomains. | 2013 Oct 10 |
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The making of I-BET762, a BET bromodomain inhibitor now in clinical development. | 2013 Oct 10 |
|
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 |
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NCI_THESAURUS |
C128462
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FG-34
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100000175234
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C101538
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1260907-17-2
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ACTIVE MOIETY
SALT/SOLVATE (PARENT)