Detailed information for compound 1498730

Basic information

Technical information
  • TDR Targets ID: 1498730
  • Name: N-(1,3-benzothiazol-2-yl)-3-(2,5-dioxopyrroli din-1-yl)benzamide
  • MW: 351.379 | Formula: C18H13N3O3S
  • H donors: 1 H acceptors: 4 LogP: 2.33 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCC(=O)N1c1cccc(c1)C(=O)Nc1nc2c(s1)cccc2
  • InChi: 1S/C18H13N3O3S/c22-15-8-9-16(23)21(15)12-5-3-4-11(10-12)17(24)20-18-19-13-6-1-2-7-14(13)25-18/h1-7,10H,8-9H2,(H,19,20,24)
  • InChiKey: XQHIUFDKBVYHSA-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,3-benzothiazol-2-yl)-3-(2,5-dioxo-1-pyrrolidinyl)benzamide
  • N-(1,3-benzothiazol-2-yl)-3-succinimido-benzamide
  • A1295/0058865
  • Oprea1_531334
  • Oprea1_509224
  • ZINC01219233

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
Schistosoma mansoni pyruvate dehydrogenase (lipoamide) 0.0078 1 1
Onchocerca volvulus 0.0059 0.4544 0.5
Echinococcus multilocularis transketolase 0.0054 0.3152 0.3152
Mycobacterium tuberculosis Transketolase Tkt (TK) 0.0054 0.3152 0.5
Brugia malayi transketolase 0.0054 0.3152 0.3152
Entamoeba histolytica transketolase, putative 0.0054 0.3152 1
Entamoeba histolytica transketolase, chloroplast, putative 0.0054 0.3152 1
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE SYNTHASE DXS1 (1-DEOXYXYLULOSE-5-PHOSPHATE SYNTHASE) (DXP SYNTHASE) (DXPS) 0.0054 0.3152 0.5
Mycobacterium leprae Probable transketolase Tkt (TK) 0.0054 0.3152 0.5
Mycobacterium ulcerans transketolase 0.0054 0.3152 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Plasmodium vivax pyruvate dehydrogenase E1 component subunit beta, putative 0.0078 1 1
Trypanosoma cruzi pyruvate dehydrogenase E1 beta subunit, putative 0.0078 1 1
Trichomonas vaginalis transketolase, putative 0.0054 0.3152 0.5
Schistosoma mansoni transketolase 0.0054 0.3152 0.3152
Trypanosoma cruzi pyruvate dehydrogenase E1 beta subunit, putative 0.0078 1 1
Echinococcus multilocularis transketolase 0.0054 0.3152 0.3152
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate synthase Dxs1 (1-deoxyxylulose-5-phosphate synthase) (DXP synthase) (DXPS) 0.0054 0.3152 0.5
Chlamydia trachomatis oxoisovalerate dehydrogenase subunits alpha/beta 0.0061 0.5081 0.2816
Brugia malayi pyruvate dehydrogenase E1 component beta subunit, putative 0.0078 1 1
Echinococcus granulosus pyruvate dehydrogenase 0.0078 1 1
Plasmodium falciparum pyruvate dehydrogenase E1 component subunit beta 0.0078 1 1
Entamoeba histolytica transketolase, putative 0.0054 0.3152 1
Mycobacterium ulcerans pyruvate dehydrogenase E1 component subunit PdhB 0.0054 0.3152 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 1 1
Treponema pallidum 1-deoxy-D-xylulose-5-phosphate synthase 0.0054 0.3152 0.5
Leishmania major pyruvate dehydrogenase E1 beta subunit, putative 0.0078 1 1
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E1 component, beta subunit BkdB 0.0054 0.3152 0.5
Chlamydia trachomatis pyruvate dehydrogenase subunit beta 0.0078 1 1
Schistosoma mansoni transketolase 0.0054 0.3152 0.3152
Echinococcus granulosus transketolase 0.0054 0.3152 0.3152
Toxoplasma gondii pyruvate dehydrogenase complex subunit PD-HE1Beta 0.0078 1 1
Brugia malayi 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor 0.0054 0.3152 0.3152
Wolbachia endosymbiont of Brugia malayi pyruvate dehydrogenase subunit beta 0.0078 1 1
Mycobacterium ulcerans 1-deoxy-D-xylulose-5-phosphate synthase 0.0054 0.3152 0.5
Trypanosoma brucei pyruvate dehydrogenase E1 beta subunit, putative 0.0078 1 1
Echinococcus granulosus transketolase 0.0054 0.3152 0.3152
Entamoeba histolytica transketolase, putative 0.0054 0.3152 1
Echinococcus multilocularis pyruvate dehydrogenase 0.0078 1 1

Activities

Activity type Activity value Assay description Source 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) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.