Detailed information for compound 373901

Basic information

Technical information
  • TDR Targets ID: 373901
  • Name: 1-cyclohexyl-5-oxo-N-(3-phenylphenyl)pyrrolid ine-3-carboxamide
  • MW: 362.465 | Formula: C23H26N2O2
  • H donors: 1 H acceptors: 2 LogP: 3.71 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CC(=O)N(C1)C1CCCCC1)Nc1cccc(c1)c1ccccc1
  • InChi: 1S/C23H26N2O2/c26-22-15-19(16-25(22)21-12-5-2-6-13-21)23(27)24-20-11-7-10-18(14-20)17-8-3-1-4-9-17/h1,3-4,7-11,14,19,21H,2,5-6,12-13,15-16H2,(H,24,27)
  • InChiKey: SAHWVBVPIZFVLV-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-cyclohexyl-5-oxo-N-(3-phenylphenyl)-3-pyrrolidinecarboxamide
  • 1-cyclohexyl-5-keto-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
  • AIDS349023
  • N(3-Phenyl-phenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
  • AIDS-349023

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 knowlesi enoyl-acyl carrier reductase, putative Get druggable targets OG5_130466 All targets in OG5_130466
Trichomonas vaginalis hypothetical protein 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
Toxoplasma gondii enoyl-acyl carrier reductase ENR 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
Wolbachia endosymbiont of Brugia malayi enoyl-ACP 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
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
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 vivax enoyl-acyl carrier protein 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 yoelii 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

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
Trypanosoma cruzi DNA topoisomerase II, putative 0.0396 0.8856 1
Loa Loa (eye worm) hypothetical protein 0.0194 0.3657 0.3657
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0396 0.8856 1
Schistosoma mansoni hypothetical protein 0.0168 0.2964 0.2964
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0145 0.2373 0.1794
Loa Loa (eye worm) hypothetical protein 0.0295 0.626 0.626
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0145 0.2373 0.4505
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0319 0.6875 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.006 0.0189 0.0189
Trichomonas vaginalis DNA topoisomerase II, putative 0.044 1 1
Plasmodium vivax DNA topoisomerase II, putative 0.044 1 1
Echinococcus multilocularis geminin 0.0168 0.2964 0.2964
Echinococcus granulosus histone acetyltransferase MYST2 0.006 0.0189 0.0189
Plasmodium falciparum DNA topoisomerase 2 0.044 1 1
Echinococcus granulosus geminin 0.0168 0.2964 0.2964
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.006 0.0189 0.0189
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0223 0.4406 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0319 0.6875 1
Chlamydia trachomatis DNA gyrase subunit B 0.0239 0.4801 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0212 0.4119 0.4119
Mycobacterium ulcerans DNA gyrase subunit B 0.0145 0.2373 0.4505
Giardia lamblia DNA topoisomerase II 0.0421 0.9498 0.5
Toxoplasma gondii DNA topoisomerase 2, putative 0.044 1 1
Loa Loa (eye worm) hypothetical protein 0.0194 0.3657 0.3657
Schistosoma mansoni hypothetical protein 0.0326 0.7044 0.7044
Schistosoma mansoni hypothetical protein 0.0168 0.2964 0.2964
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0223 0.4406 0.3982
Plasmodium falciparum enoyl-acyl carrier reductase 0.0223 0.4406 0.3982
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0145 0.2373 0.4505
Loa Loa (eye worm) hypothetical protein 0.006 0.0189 0.0189
Echinococcus multilocularis histone acetyltransferase MYST2 0.006 0.0189 0.0189
Leishmania major DNA topoisomerase ii 0.0396 0.8856 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.1061 0.1061
Brugia malayi DNA topoisomerase II, alpha isozyme 0.044 1 1
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0145 0.2373 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0223 0.4406 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0223 0.4406 0.5
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0396 0.8856 1
Brugia malayi Probable DNA topoisomerase II 0.044 1 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0319 0.6875 1
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0223 0.4406 0.3982
Loa Loa (eye worm) TOPoisomerase family member 0.044 1 1
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0223 0.4406 0.9036
Plasmodium falciparum DNA gyrase subunit B 0.0145 0.2373 0.1794
Loa Loa (eye worm) hypothetical protein 0.0295 0.626 0.626
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0223 0.4406 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0145 0.2373 0.1794
Schistosoma mansoni myelin transcription factor 1 myt1 0.006 0.0189 0.0189
Echinococcus granulosus DNA topoisomerase 2 alpha 0.044 1 1
Chlamydia trachomatis DNA gyrase subunit B 0.0145 0.2373 0.407
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.044 1 1
Entamoeba histolytica DNA topoisomerase II, putative 0.044 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0094 0.1061 0.1061
Loa Loa (eye worm) MBCTL1 0.006 0.0189 0.0189
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0212 0.4119 0.4119
Loa Loa (eye worm) hypothetical protein 0.0094 0.1061 0.1061
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.006 0.0189 0.0189
Schistosoma mansoni DNA topoisomerase II 0.044 1 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0396 0.8856 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 255 nM Inhibition of Mycobacterium tuberculosis InhA ChEMBL. 17034137
IC50 (binding) = 255 nM Inhibition of Mycobacterium tuberculosis InhA ChEMBL. 17034137
IC50 (binding) = 2100 nM Inhibition of Mycobacterium tuberculosis InhA ChEMBL. 17034137
IC50 (binding) = 2100 nM Inhibition of Mycobacterium tuberculosis InhA ChEMBL. 17034137
IC50 (binding) = 0.39 uM Inhibition of Mycobacterium tuberculosis InhA ChEMBL. 17034137
IC50 (binding) = 0.39 uM Inhibition of Mycobacterium tuberculosis InhA ChEMBL. 17034137
Inhibition (binding) 0 Inhibition of Mycobacterium tuberculosis InhA at 1.5 uM ChEMBL. 17034137
Inhibition (binding) = 97 % Inhibition of Mycobacterium tuberculosis InhA at 15 uM ChEMBL. 17034137
Inhibition (binding) = 97 % Inhibition of Mycobacterium tuberculosis InhA at 15 uM 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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