Detailed information for compound 375812

Basic information

Technical information
  • TDR Targets ID: 375812
  • Name: N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3 -carboxamide
  • MW: 359.217 | Formula: C17H15BrN2O2
  • H donors: 1 H acceptors: 2 LogP: 2.52 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cccc(c1)NC(=O)C1CN(C(=O)C1)c1ccccc1
  • InChi: 1S/C17H15BrN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h1-8,10,12H,9,11H2,(H,19,22)
  • InChiKey: XZNCKIBUPHQSLE-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-bromophenyl)-5-oxo-1-phenyl-pyrrolidine-3-carboxamide
  • N-(3-bromophenyl)-5-oxo-1-phenyl-3-pyrrolidinecarboxamide
  • N-(3-bromophenyl)-5-keto-1-phenyl-pyrrolidine-3-carboxamide
  • Oprea1_008776
  • Oprea1_140596
  • 5-Oxo-1-phenyl-pyrrolidine-3-carboxylic acid (3-bromo-phenyl)-amide
  • STK014966
  • BAS 00630661

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax enoyl-acyl carrier protein reductase Get druggable targets OG5_130466 All targets in OG5_130466
Chlamydia trachomatis enoyl-acyl-carrier protein reductase Get druggable targets OG5_130466 All targets in OG5_130466
Trichomonas vaginalis hypothetical protein Get druggable targets OG5_130466 All targets in OG5_130466
Plasmodium yoelii enoyl-acyl carrier reductase Get druggable targets OG5_130466 All targets in OG5_130466
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase Get druggable targets OG5_130466 All targets in OG5_130466
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) Get druggable targets OG5_130466 All targets in OG5_130466
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase Get druggable targets OG5_130466 All targets in OG5_130466
Plasmodium falciparum enoyl-acyl carrier reductase Get druggable targets OG5_130466 All targets in OG5_130466
Plasmodium berghei enoyl-acyl carrier reductase Get druggable targets OG5_130466 All targets in OG5_130466
Neospora caninum enoyl-acyl carrier reductase, putative Get druggable targets OG5_130466 All targets in OG5_130466
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) Get druggable targets OG5_130466 All targets in OG5_130466
Plasmodium knowlesi enoyl-acyl carrier reductase, putative Get druggable targets OG5_130466 All targets in OG5_130466
Toxoplasma gondii enoyl-acyl carrier reductase ENR Get druggable targets OG5_130466 All targets in OG5_130466

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
Leishmania major carbonic anhydrase-like protein 0.1606 0.8163 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1606 0.8163 1
Trypanosoma brucei carbonic anhydrase-like protein 0.1606 0.8163 1
Entamoeba histolytica ankyrin, putative 0.0072 0.0161 0.0218
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0223 0.0949 0.1121
Echinococcus granulosus carbonic anhydrase 0.0738 0.3635 0.4342
Mycobacterium ulcerans carbonic anhydrase 0.1461 0.7407 0.8751
Loa Loa (eye worm) carbonic anhydrase 3 0.1606 0.8163 0.7952
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1606 0.8163 1
Trichomonas vaginalis conserved hypothetical protein 0.1663 0.8464 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1606 0.8163 1
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0243 0.1052 0.2097
Mycobacterium ulcerans carbonic anhydrase 0.1663 0.8464 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0738 0.3635 0.3654
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0904 0.45 0.8969
Loa Loa (eye worm) hypothetical protein 0.0738 0.3635 0.2905
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0223 0.0949 0.1105
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1003 0.5017 1
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0223 0.0949 0.5
Toxoplasma gondii hypothetical protein 0.0738 0.3635 1
Mycobacterium ulcerans transferase 0.007 0.0147 0.0174
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0738 0.3635 0.2905
Trichomonas vaginalis conserved hypothetical protein 0.1663 0.8464 1
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0223 0.0949 1
Echinococcus multilocularis carbonic anhydrase II 0.1606 0.8163 1
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0223 0.0949 0.5
Plasmodium falciparum carbonic anhydrase 0.0738 0.3635 1
Mycobacterium leprae Probable transmembrane transport protein 0.0243 0.1052 0.1247
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1461 0.7407 1
Onchocerca volvulus Putative sulfate transporter 0.0211 0.0882 1
Echinococcus granulosus carbonic anhydrase II 0.1606 0.8163 1
Onchocerca volvulus 0.0211 0.0882 1
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.08 0.396 0.7893
Trichomonas vaginalis hypothetical protein 0.0223 0.0949 0.0965
Echinococcus granulosus carbonic anhydrase 0.0738 0.3635 0.4342
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1606 0.8163 1
Leishmania major carbonic anhydrase family protein, putative 0.1461 0.7407 0.9075
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0223 0.0949 0.1892
Entamoeba histolytica carbonic anhydrase, putative 0.1461 0.7407 1
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0072 0.0161 0.0322
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0738 0.3635 0.3654
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1606 0.8163 0.7952
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0738 0.3635 0.3654
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0072 0.0161 0.1699
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0738 0.3635 0.3654
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1606 0.8163 1
Loa Loa (eye worm) hypothetical protein 0.0738 0.3635 0.2905
Schistosoma mansoni carbonic anhydrase 0.1461 0.7407 0.8331
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0738 0.3635 0.3654
Entamoeba histolytica acetyltransferase, putative 0.0072 0.0161 0.0218
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0072 0.0161 0.1699
Echinococcus granulosus carbonic anhydrase 0.0738 0.3635 0.4342
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1606 0.8163 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 13.55 uM Inhibition of Mycobacterium tuberculosis InhA ChEMBL. 17034137
IC50 (binding) = 13.55 uM Inhibition of Mycobacterium tuberculosis InhA ChEMBL. 17034137

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

1 literature reference was collected for this gene.

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