CHEBI:131785 - Ro 5-3335

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ChEBI Name Ro 5-3335
ChEBI ID CHEBI:131785
Definition A 1,4-benzodiazepinone that is nordazepam in which the phenyl substituent has been replaced by a 1H-pyrrol-2-yl group. It inhibits gene expression in HIV-1 at the transcriptional level through interference with Tat-mediated transactivation.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:92349
Supplier Information
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Formula C13H10ClN3O
Net Charge 0
Average Mass 259.691
Monoisotopic Mass 259.05124
InChI InChI=1S/C13H10ClN3O/c14-8-3-4-10-9(6-8)13(11-2-1-5-15-11)16-7-12(18)17-10/h1-6,15H,7H2,(H,17,18)
InChIKey XWNMORIHKRROGW-UHFFFAOYSA-N
SMILES C12=CC=C(C=C1C(=NCC(N2)=O)C=3NC=CC3)Cl
Roles Classification
Biological Role(s): anti-HIV-1 agent
An anti-HIV agent that destroys or inhibits the replication of HIV-1, the more infective and more virulent of the two types of HIV virus.
RUNX1 inhibitor
An inhibitor that interferes with RUNX1 (runt-related transcription factor 1), a transcription factor protein that regulates the differentiation of haematopoietic stem cells into mature blood cells.
HIV-1 Tat inhibitor
An inhibitor of gene expression of human immunodeficiency virus type 1 (HIV-1) at the transcriptional level through interference with Tat-mediated transactivation.
GABA modulator
A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
(via benzodiazepine )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
GABA modulator
A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
(via benzodiazepine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ro 5-3335 (CHEBI:131785) has role anti-HIV-1 agent (CHEBI:64947)
Ro 5-3335 (CHEBI:131785) has role antineoplastic agent (CHEBI:35610)
Ro 5-3335 (CHEBI:131785) has role HIV-1 Tat inhibitor (CHEBI:131791)
Ro 5-3335 (CHEBI:131785) has role RUNX1 inhibitor (CHEBI:131789)
Ro 5-3335 (CHEBI:131785) is a 1,4-benzodiazepinone (CHEBI:35500)
Ro 5-3335 (CHEBI:131785) is a organochlorine compound (CHEBI:36683)
Ro 5-3335 (CHEBI:131785) is a pyrroles (CHEBI:26455)
IUPAC Name
7-chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Synonyms Sources
7-chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one ChemIDplus
7-chloro-5-(2-pyrryl)-3H-1,4-benzodiazepin-2(H)-one ChemIDplus
CBFβ-Runx1 inhibitor II ChEBI
Ro-5-3335 ChEBI
Ro5-3335 ChEBI
Manual Xrefs Databases
DE2017060 Patent
LSM-2426 LINCS
View more database links
Registry Numbers Types Sources
30195-30-3 CAS Registry Number ChemIDplus
617385 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1282790 PubMed citation Europe PMC
1362952 PubMed citation Europe PMC
1397654 PubMed citation Europe PMC
22912405 PubMed citation Europe PMC
24651404 PubMed citation Europe PMC
7884917 PubMed citation Europe PMC
8083610 PubMed citation Europe PMC
8351676 PubMed citation Europe PMC
Last Modified
02 February 2018