CHEBI:137113 - JQ1

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ChEBI Name JQ1
ChEBI ID CHEBI:137113
Definition A member of the class of thienotriazolodiazepines that is the tert-butyl ester of [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid. An inhibitor of bromodomain-containing protein 4 that exhibits anti-cancer and cardioprotective properties.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C23H25ClN4O2S
Net Charge 0
Average Mass 456.990
Monoisotopic Mass 456.139
InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
InChIKey DNVXATUJJDPFDM-KRWDZBQOSA-N
SMILES C(=O)(OC(C)(C)C)C[C@H]1C=2N(C3=C(C(=N1)C4=CC=C(C=C4)Cl)C(=C(S3)C)C)C(=NN2)C
Roles Classification
Biological Role(s): bromodomain-containing protein 4 inhibitor
Any inhibitor of bromodomain-containing protein 4 (BRD4).
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application(s): cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
angiogenesis inhibitor
An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing JQ1 (CHEBI:137113) has role angiogenesis inhibitor (CHEBI:48422)
JQ1 (CHEBI:137113) has role anti-inflammatory agent (CHEBI:67079)
JQ1 (CHEBI:137113) has role antineoplastic agent (CHEBI:35610)
JQ1 (CHEBI:137113) has role apoptosis inducer (CHEBI:68495)
JQ1 (CHEBI:137113) has role bromodomain-containing protein 4 inhibitor (CHEBI:137114)
JQ1 (CHEBI:137113) has role cardioprotective agent (CHEBI:77307)
JQ1 (CHEBI:137113) is a carboxylic ester (CHEBI:33308)
JQ1 (CHEBI:137113) is a organochlorine compound (CHEBI:36683)
JQ1 (CHEBI:137113) is a thienotriazolodiazepine (CHEBI:84232)
IUPAC Name
tert-butyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
Synonyms Sources
(+)-JQ1 ChEBI
(S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-6-yl)acetate ChemIDplus
(S)-JQ1 ChemIDplus
JQ1 Compound ChemIDplus
TEN-010 ChEBI
Database Links Databases
JQ1 Wikipedia
JQ1 PDBeChem
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Registry Numbers Types Sources
1268524-70-4 CAS Registry Number ChemIDplus
21994154 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
24 May 2017