Ro 5-3335: inhibits gene expression by HIV-1 at the level of transcriptional trans-activation by Tat [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
Ro 5-3335 : A 1,4-benzodiazepinone that is nordazepam in which the phenyl substituent has been replaced by a 1H-pyrrol-2-yl group.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. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]
| ID Source | ID |
|---|---|
| PubMed CID | 64983 |
| CHEMBL ID | 91609 |
| CHEBI ID | 131785 |
| SCHEMBL ID | 8844868 |
| MeSH ID | M0195633 |
| Synonym |
|---|
| CHEMBL91609 , |
| 7-chloro-5-(1h-pyrrol-2-yl)-1h-benzo[e][1,4]diazepin-2(3h)-one |
| 7-chloro-5-(1h-pyrrol-2-yl)-1,3-dihydro-benzo[e][1,4]diazepin-2-one |
| bdbm50032828 |
| 2h-1, 7-chloro-1,3-dihydro-5-pyrrol-2-yl- |
| mls000736730 , |
| nsc-66020 |
| nsc66020 |
| ro 5-3335 |
| 7-chloro-5-(1h-pyrrol-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one |
| 30195-30-3 |
| 7-chloro-5-(2-pyrryl)-3h-1,4-benzodiazepin-2(h)-one |
| ro5-3335 |
| 2h-1,4-benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-pyrrol-2-yl- |
| smr000528305 |
| NCIOPEN2_002953 , |
| NCGC00185960-01 |
| 7-chloro-5-(1h-pyrrol-2-yl)-1,3-dihydro-2h-1,4-benzodiazepin-2-one |
| CHEBI:131785 |
| ro-5-3335 |
| cbfbeta-runx1 inhibitor ii |
| 1,3-dihydro-7-chloro-5-pyrrol-2-yl-2h-1,4-benzodiazepin-2-one |
| niosh/df2378100 |
| 2h-1,4-benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-pyrrol-2-yl- |
| DF23781000 |
| HMS2886K04 |
| MLS003370628 |
| unii-dlh4t68l7i |
| 2h-1,4-benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(1h-pyrrol-2-yl)- |
| dlh4t68l7i , |
| nsc 66020 |
| SCHEMBL8844868 |
| AKOS024458296 |
| XWNMORIHKRROGW-UHFFFAOYSA-N , |
| 7-chloro-1,3-dihydro-5-(1h-pyrrol-2-yl)-1,4-benzodiazepin-2-one |
| 7-chloro-1,3-dihydro-5-(1h-pyrrol-2-yl)-2h-1,4-benzodiazepin-2-one |
| cbf?-runx1 inhibitor ii |
| DTXSID20184270 |
| Q27887134 |
| EX-A5723 |
| cbfb-runx1 inhibitor ii |
| HY-108470 |
| CS-0028862 |
| AS-84217 |
| R0223 |
| mfcd00870704 |
| 7-chloro-5-(1h-pyrrol-2-yl)-1,3-dihydro-2h-benzo[e][1,4]diazepin-2-one |
| Role | Description |
|---|---|
| antineoplastic agent | A substance that inhibits or prevents the proliferation of neoplasms. |
| 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. |
| [role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Class | Description |
|---|---|
| 1,4-benzodiazepinone | |
| organochlorine compound | An organochlorine compound is a compound containing at least one carbon-chlorine bond. |
| pyrroles | An azole that includes only one N atom and no other heteroatom as a part of the aromatic skeleton. |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| glp-1 receptor, partial | Homo sapiens (human) | Potency | 1.5849 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
| ATAD5 protein, partial | Homo sapiens (human) | Potency | 8.1961 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
| TDP1 protein | Homo sapiens (human) | Potency | 0.0981 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
| apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 28.1838 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
| bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 79.4328 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
| runt-related transcription factor 1 isoform AML1b | Homo sapiens (human) | Potency | 8.6499 | 0.0200 | 7.9858 | 39.8107 | AID504378 |
| core-binding factor subunit beta isoform 2 | Homo sapiens (human) | Potency | 8.6499 | 0.0200 | 7.9858 | 39.8107 | AID504378 |
| urokinase-type plasminogen activator precursor | Mus musculus (house mouse) | Potency | 3.1623 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
| plasminogen precursor | Mus musculus (house mouse) | Potency | 3.1623 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
| urokinase plasminogen activator surface receptor precursor | Mus musculus (house mouse) | Potency | 3.1623 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
| geminin | Homo sapiens (human) | Potency | 29.0929 | 0.0046 | 11.3741 | 33.4983 | AID624297 |
| Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 28.1838 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Protein Tat | Human immunodeficiency virus type 1 (CLONE 12) | IC50 (µMol) | 4.0000 | 4.0000 | 4.0000 | 4.0000 | AID202043; AID212591 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| negative regulation of inflammatory response to antigenic stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| renal water homeostasis | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| G protein-coupled receptor signaling pathway | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| regulation of insulin secretion | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| cellular response to glucagon stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
| AID235610 | Therapeutic index against HIV-1 whole cell assay was determined, expressed as the ratio of IC50s of cell cytotoxicity to that of HIV replication | 1993 | Journal of medicinal chemistry, Sep-03, Volume: 36, Issue:18 | Keto/enol epoxy steroids: a new structural class of HIV-1 Tat inhibitors. |
| AID78950 | Inhibition of HIV replication in H9 cells. | 1995 | Journal of medicinal chemistry, Aug-18, Volume: 38, Issue:17 | Keto/enol epoxy steroids as HIV-1 Tat inhibitors: structure-activity relationships and pharmacophore localization. |
| AID390238 | Inhibition of Tat-induced HIV1 LTR transactivation | 2008 | Bioorganic & medicinal chemistry, Nov-15, Volume: 16, Issue:22 | Novel piperidinylpyrimidine derivatives as inhibitors of HIV-1 LTR activation. |
| AID79131 | Inhibition of HIV-1 replication in H9 cells infected with three different concentrations of HIV IIIB strain | 1993 | Journal of medicinal chemistry, Sep-03, Volume: 36, Issue:18 | Keto/enol epoxy steroids: a new structural class of HIV-1 Tat inhibitors. |
| AID235747 | Therapeutic index, measured by whole cell assay. | 1995 | Journal of medicinal chemistry, Aug-18, Volume: 38, Issue:17 | Keto/enol epoxy steroids as HIV-1 Tat inhibitors: structure-activity relationships and pharmacophore localization. |
| AID202043 | The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay | 1995 | Journal of medicinal chemistry, Aug-18, Volume: 38, Issue:17 | Keto/enol epoxy steroids as HIV-1 Tat inhibitors: structure-activity relationships and pharmacophore localization. |
| AID212591 | Inhibition of HIV-1 nuclear regulatory protein Tat | 1993 | Journal of medicinal chemistry, Sep-03, Volume: 36, Issue:18 | Keto/enol epoxy steroids: a new structural class of HIV-1 Tat inhibitors. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 17 (70.83) | 18.2507 |
| 2000's | 2 (8.33) | 29.6817 |
| 2010's | 4 (16.67) | 24.3611 |
| 2020's | 1 (4.17) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.
| This Compound (10.82) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 26 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||