MOLIBRESIB

Investigational

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

Structure Search

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

HIDE SMILES / InChI

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

Description
Sources: http://adisinsight.springer.com/drugs/800036177https://www.ncbi.nlm.nih.gov/pubmed/21068722
Curator's Comment:: 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.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Bromodomain-containing protein 3 7 Target ID: CHEMBL1795186 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21068722\|https://www.ncbi.nlm.nih.gov/pubmed/24015967	Inhibitor 7701		42.3999999999999986 nM [IC50]
Bromodomain-containing protein 2 7 Target ID: CHEMBL1293289 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21568322	Inhibitor 7701		32.5 nM [IC50]
Bromodomain-containing protein 4 13 Target ID: CHEMBL1163125 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21568322	Inhibitor 7701		36.1000000000000014 nM [IC50]
Bromodomain-containing protein 4 13 Target ID: CHEMBL1163125 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21068722 \| https://www.ncbi.nlm.nih.gov/pubmed/24015967	Inhibitor 7701	NUT midline carcinoma Breast cancer Acute myeloid leukemia Non-Hodgkin's lymphoma Multiple myeloma
Bromodomain-containing protein 2 7 Target ID: CHEMBL1293289 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21068722 \| https://www.ncbi.nlm.nih.gov/pubmed/24015967	Inhibitor 7701	Multiple myeloma Non-Hodgkin's lymphoma Acute myeloid leukemia Breast cancer NUT midline carcinoma
Bromodomain-containing protein 3 7 Target ID: CHEMBL1795186 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21068722 \| https://www.ncbi.nlm.nih.gov/pubmed/24015967	Inhibitor 7701	NUT midline carcinoma Breast cancer Acute myeloid leukemia Non-Hodgkin's lymphoma Multiple myeloma

Conditions

Condition	Modality	Targets	Highest Phase
NUT midline carcinoma 2 Sources: http://adisinsight.springer.com/drugs/800036177	Primary	Bromodomain-containing protein 4 Bromodomain-containing protein 2 Bromodomain-containing protein 3	Phase II
Breast cancer 411 Sources: http://adisinsight.springer.com/drugs/800036177	Primary	Bromodomain-containing protein 4 Bromodomain-containing protein 2 Bromodomain-containing protein 3	Phase II
Acute myeloid leukemia 128 Sources: http://adisinsight.springer.com/drugs/800036177	Primary	Bromodomain-containing protein 4 Bromodomain-containing protein 2 Bromodomain-containing protein 3	Phase II
Non-Hodgkin's lymphoma 74 Sources: http://adisinsight.springer.com/drugs/800036177	Primary	Bromodomain-containing protein 4 Bromodomain-containing protein 2 Bromodomain-containing protein 3	Phase II
Multiple myeloma 145 Sources: http://adisinsight.springer.com/drugs/800036177	Primary	Bromodomain-containing protein 4 Bromodomain-containing protein 2 Bromodomain-containing protein 3	Phase II

PubMed

Title	Date	PubMed
Suppression of inflammation by a synthetic histone mimic.	2010 Dec 23	21068722

Patents

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 `Sat Jun 26 16:41:54 UTC 2021` Edited by `admin` on `Sat Jun 26 16:41:54 UTC 2021`
Record UNII	5QIO6SRZ2R
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

MOLIBRESIB

Official Name

English

GSK525762

Code

English

I-BET 762

Code

English

GSK525762A

Code

English

MOLIBRESIB [INN]

Common Name

English

GSK-525762A

Code

English

GSK-525762

Code

English

MOLIBRESIB [USAN]

Common Name

English

MOLIBRESIB [WHO-DD]

Common 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)-

Systematic Name

English

BET INHIBITOR GSK525762

Common Name

English

2-((4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4HBENZO(F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPIN-4-YL)-N-ETHYLACETAMIDE

Systematic Name

English

(4S)-6-(4-CHLOROPHENYL)-N-ETHYL-8-METHOXY-1-METHYL-4H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPINE-4-ACETAMIDE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C128462