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CHEBI:131785 - Ro 5-3335
| Formula | C13H10ClN3O |
| Net Charge | 0 |
| Average Mass | 259.696 |
| Monoisotopic Mass | 259.05124 |
| SMILES | O=C1CN=C(c2cccn2)c2cc(Cl)ccc2N1 |
| 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 |
| Roles Classification |
|---|
| Biological Roles: | 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. 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. 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. |
| Applications: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| 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 |
| Registry Numbers | Sources |
|---|---|
| Reaxys:617385 | Reaxys |
| CAS:30195-30-3 | ChemIDplus |
| Citations |
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