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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22ClN5O2.C6H6O3S
Molecular Weight 582.07
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOLIBRESIB BESYLATE

SMILES

OS(=O)(=O)C1=CC=CC=C1.CCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C4=CC(OC)=CC=C4N5C(C)=NN=C25

InChI

InChIKey=UQGMFOYDYUZADE-FERBBOLQSA-N
InChI=1S/C22H22ClN5O2.C6H6O3S/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;7-10(8,9)6-4-2-1-3-5-6/h5-11,18H,4,12H2,1-3H3,(H,24,29);1-5H,(H,7,8,9)/t18-;/m0./s1

HIDE SMILES / InChI
Molecular Formula C22H22ClN5O2
Molecular Weight 423.895
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED
Molecular Formula C6H6O3S
Molecular Weight 158.175
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
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.

Originator

Approval Year

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8504
Inhibitor
8504
Inhibitor
8504
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Phase II
1147
Unknown

Approved Use

Unknown
Primary
Phase II
1147
Unknown

Approved Use

Unknown
Primary
Phase II
1147
Unknown

Approved Use

Unknown
Primary
Phase II
1147
Unknown

Approved Use

Unknown
Primary
Phase II
1147
Unknown

Approved Use

Unknown
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
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

AUC

ValueDoseCo-administeredAnalytePopulation
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

T1/2

ValueDoseCo-administeredAnalytePopulation
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

PubMed

TitleDatePubMed
CCAT1 is an enhancer-templated RNA that predicts BET sensitivity in colorectal cancer.
2016-02
BET inhibitor resistance emerges from leukaemia stem cells.
2015-09-24
An epigenomic approach to therapy for tamoxifen-resistant breast cancer.
2014-07
Potent antimyeloma activity of the novel bromodomain inhibitors I-BET151 and I-BET762.
2014-01-30
Discovery of epigenetic regulator I-BET762: lead optimization to afford a clinical candidate inhibitor of the BET bromodomains.
2013-10-10
The making of I-BET762, a BET bromodomain inhibitor now in clinical development.
2013-10-10
Selective inhibition of CD4+ T-cell cytokine production and autoimmunity by BET protein and c-Myc inhibitors.
2012-09-04
Liver X receptors as regulators of macrophage inflammatory and metabolic pathways.
2011-08
Discovery and characterization of small molecule inhibitors of the BET family bromodomains.
2011-06-09
Suppression of inflammation by a synthetic histone mimic.
2010-12-23
Patents

Patents

WO2015049629A1
2
WO2016014859A1
2
WO2016196065A1
2

Sample Use Guides

In Vivo Use Guide
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
125-500 nM I-BET-762 (GSK 525762) treatment differentially alters CD4+ T-cell cytokine production
Substance Class Chemical
Created
by admin
on Tue Apr 01 22:17:25 GMT 2025
Edited
by admin
on Tue Apr 01 22:17:25 GMT 2025
Record UNII
K04D7I4BCH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOLIBRESIB BESYLATE
USAN  
Official Name English
4H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPINE-4-ACETAMIDE, 6-(4-CHLOROPHENYL)-N-ETHYL-8-METHOXY-1-METHYL-, (4S)-, COMPD. WITH BENZENESULFONATE (1:1)
Preferred Name English
GSK525762C
Code English
2-[(4S)-6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide monobenzenesulfonate salt
Systematic Name English
GSK-525762C
Code English
MOLIBRESIB BESYLATE [USAN]
Common Name English
Code System Code Type Description
CAS
1895049-20-3
Created by admin on Tue Apr 01 22:17:25 GMT 2025 , Edited by admin on Tue Apr 01 22:17:25 GMT 2025
PRIMARY
SMS_ID
300000044502
Created by admin on Tue Apr 01 22:17:25 GMT 2025 , Edited by admin on Tue Apr 01 22:17:25 GMT 2025
PRIMARY
FDA UNII
K04D7I4BCH
Created by admin on Tue Apr 01 22:17:25 GMT 2025 , Edited by admin on Tue Apr 01 22:17:25 GMT 2025
PRIMARY
USAN
FG-35
Created by admin on Tue Apr 01 22:17:25 GMT 2025 , Edited by admin on Tue Apr 01 22:17:25 GMT 2025
PRIMARY
NCI_THESAURUS
C159943
Created by admin on Tue Apr 01 22:17:25 GMT 2025 , Edited by admin on Tue Apr 01 22:17:25 GMT 2025
PRIMARY
PUBCHEM
133082230
Created by admin on Tue Apr 01 22:17:25 GMT 2025 , Edited by admin on Tue Apr 01 22:17:25 GMT 2025
PRIMARY
Related Record Type Details
Structure of MOLIBRESIB
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of MOLIBRESIB
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