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

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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
Toxoplasma gondii enoyl-acyl carrier reductase ENR 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
Plasmodium berghei enoyl-acyl carrier reductase 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 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
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
Plasmodium knowlesi enoyl-acyl carrier reductase, putative 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
Plasmodium falciparum enoyl-acyl carrier 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

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

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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