Detailed information for compound 1295125

Basic information

Technical information
  • TDR Targets ID: 1295125
  • Name: 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl )benzamide
  • MW: 339.302 | Formula: C17H13N3O5
  • H donors: 1 H acceptors: 5 LogP: 1.92 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCC(=O)N1c1cccc(c1)C(=O)Nc1ccccc1[N+](=O)[O-]
  • InChi: 1S/C17H13N3O5/c21-15-8-9-16(22)19(15)12-5-3-4-11(10-12)17(23)18-13-6-1-2-7-14(13)20(24)25/h1-7,10H,8-9H2,(H,18,23)
  • InChiKey: BZBLLAWEFXGVPJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2,5-dioxo-1-pyrrolidinyl)-N-(2-nitrophenyl)benzamide
  • N-(2-nitrophenyl)-3-succinimido-benzamide
  • STK279513
  • BIM-0004772.P001
  • CBMicro_004552
  • Oprea1_262146
  • ZINC05090961

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.061 0.444
Toxoplasma gondii thioredoxin reductase 0.0093 0.2606 1
Brugia malayi hypothetical protein 0.0043 0.0809 0.0931
Mycobacterium tuberculosis Probable reductase 0.0212 0.6933 0.8837
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0212 0.6933 0.8837
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0434 0.2387
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.061 0.444
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.1412 0.1364
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0051 0.1086 0.0924
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.061 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0338 0.1267
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.1412 0.4591
Schistosoma mansoni hypothetical protein 0.0048 0.0983 0.0608
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0235 0.7793 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.061 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0706 0.556
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.1412 0.1364
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1412 0.1055
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0212 0.6933 0.8837
Brugia malayi hypothetical protein 0.0236 0.7829 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.1086 1
Treponema pallidum NADH oxidase 0.0032 0.0399 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0134 0.4102 0.5185
Mycobacterium tuberculosis Probable oxidoreductase 0.0235 0.7793 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0983 0.1156
Loa Loa (eye worm) RNA binding protein 0.0134 0.4102 0.4473
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0235 0.7793 1
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4102 0.3857
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.1412 0.137
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4102 0.3857
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0051 0.1086 0.3111
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0051 0.1086 0.0924
Schistosoma mansoni survival motor neuron protein 0.0048 0.0983 0.0608
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0235 0.777 0.7677
Echinococcus granulosus survival motor neuron protein 1 0.0236 0.7829 1
Brugia malayi Thioredoxin reductase 0.0093 0.2606 0.3253
Giardia lamblia GTOR 0.0051 0.1086 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0032 0.0399 0.1531
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0051 0.1086 0.1288
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.061 0.444
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0051 0.1086 0.4166
Mycobacterium tuberculosis Probable dehydrogenase 0.0212 0.6933 0.8837
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0212 0.6933 0.8837
Brugia malayi TAR-binding protein 0.0134 0.4102 0.5185
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0706 0.556
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0024 0.0107 0.041
Brugia malayi glutathione reductase 0.0093 0.2606 0.3253
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0032 0.0399 0.5
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4102 0.3857
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0231 0.0018
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1412 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0051 0.1086 1
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.1412 0.4591
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0809 0.0552
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0051 0.1086 0.4166
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0706 0.556
Echinococcus multilocularis tar DNA binding protein 0.0134 0.4102 0.4984
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0809 0.0552
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4102 0.3857
Trypanosoma brucei trypanothione reductase 0.0093 0.2606 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0235 0.7793 1
Loa Loa (eye worm) TAR-binding protein 0.0134 0.4102 0.4473
Plasmodium falciparum thioredoxin reductase 0.0093 0.2606 1
Loa Loa (eye worm) glutathione reductase 0.0093 0.2606 0.2255
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0212 0.6933 0.8837
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0032 0.0399 0.1531
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0051 0.1086 0.3111
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.1086 1
Onchocerca volvulus 0.0048 0.0983 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0327 0.1138
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1412 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0038 0.061 0.0955
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0032 0.0399 0.1531
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0235 0.777 0.992
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0134 0.4102 0.4473
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0235 0.777 0.992
Echinococcus granulosus thioredoxin glutathione reductase 0.0093 0.2606 0.297
Echinococcus multilocularis survival motor neuron protein 1 0.0236 0.7829 1
Plasmodium vivax glutathione reductase, putative 0.0093 0.2606 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0706 0.556
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0327 0.1138
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.061 0.444
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0032 0.0399 0.5
Leishmania major trypanothione reductase 0.0093 0.2606 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0051 0.1086 0.3111
Echinococcus granulosus tar DNA binding protein 0.0134 0.4102 0.4984
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0474 0.2856
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0814 0.6827
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0041 0.0707 0.2714
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0051 0.1086 0.0715
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0093 0.2606 0.2985
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0051 0.1086 0.3111
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0041 0.0707 0.1396
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4102 0.3857
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1412 1
Plasmodium falciparum glutathione reductase 0.0093 0.2606 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0051 0.1086 1
Loa Loa (eye worm) hypothetical protein 0.0236 0.7829 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0231 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0706 0.556
Trichomonas vaginalis mercuric reductase, putative 0.0032 0.0399 0.1977
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.061 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0338 0.1267
Plasmodium vivax thioredoxin reductase, putative 0.0093 0.2606 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1412 0.1055
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0032 0.0399 0.1531
Loa Loa (eye worm) thioredoxin reductase 0.0093 0.2606 0.2255
Schistosoma mansoni hypothetical protein 0.0043 0.0809 0.0427
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0231 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.1086 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0041 0.0707 0.1396
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0338 0.1267
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0809 0.0427
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0032 0.0399 0.5
Brugia malayi RNA binding protein 0.0134 0.4102 0.5185
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0231 0.0018
Trichomonas vaginalis glutathione reductase, putative 0.0032 0.0399 0.1977
Trypanosoma cruzi trypanothione reductase, putative 0.0093 0.2606 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0032 0.0399 0.0401
Echinococcus multilocularis thioredoxin glutathione reductase 0.0093 0.2606 0.297

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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