Detailed information for compound 373900

Basic information

Technical information
  • TDR Targets ID: 373900
  • Name: 1-cyclohexyl-N-(3,5-difluorophenyl)-5-oxopyrr olidine-3-carboxamide
  • MW: 322.35 | Formula: C17H20F2N2O2
  • H donors: 1 H acceptors: 2 LogP: 2.28 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CC(=O)N(C1)C1CCCCC1)Nc1cc(F)cc(c1)F
  • InChi: 1S/C17H20F2N2O2/c18-12-7-13(19)9-14(8-12)20-17(23)11-6-16(22)21(10-11)15-4-2-1-3-5-15/h7-9,11,15H,1-6,10H2,(H,20,23)
  • InChiKey: HZTMPDOVKYDTNV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-cyclohexyl-N-(3,5-difluorophenyl)-5-oxo-pyrrolidine-3-carboxamide
  • 1-cyclohexyl-N-(3,5-difluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
  • 1-cyclohexyl-N-(3,5-difluorophenyl)-5-keto-pyrrolidine-3-carboxamide
  • 3-Pyrrolidinecarboxamide, 1-cyclohexyl-N-(3,5-difluorophenyl)-5-oxo-
  • AIDS-415609
  • AIDS415609
  • ST059230
  • 1-Cyclohexyl-5-oxo-pyrrolidine-3-carboxylic acid (3,5-difluoro-phenyl)-amide
  • BAS 11729984

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
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
Plasmodium knowlesi enoyl-acyl carrier reductase, putative 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
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 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
Plasmodium vivax 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
Chlamydia trachomatis 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
Schistosoma mansoni ap endonuclease 0.0017 0.0056 0.0056
Brugia malayi Inositol-1 0.0033 0.063 0.4484
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0017 0.0056 0.0089
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.1168 1
Echinococcus multilocularis geminin 0.015 0.4885 0.7714
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.1168 0.1168
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0017 0.0056 0.0893
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.1168 0.1168
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0017 0.0056 0.0893
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.1168 0.1845
Schistosoma mansoni hypothetical protein 0.015 0.4885 0.4885
Schistosoma mansoni hypothetical protein 0.015 0.4885 0.4885
Toxoplasma gondii exonuclease III APE 0.0017 0.0056 0.0075
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0017 0.0056 0.0893
Schistosoma mansoni ap endonuclease 0.0017 0.0056 0.0056
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0033 0.063 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0017 0.0056 0.0893
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0223 0.7524 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0017 0.0056 0.0893
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0223 0.7524 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0033 0.063 0.0769
Brugia malayi exodeoxyribonuclease III family protein 0.0017 0.0056 0.04
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0033 0.063 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0033 0.063 0.0769
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.1168 0.1845
Loa Loa (eye worm) inositol-1 0.0033 0.063 0.4484
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.1406 0.222
Loa Loa (eye worm) MBCTL1 0.0054 0.1406 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0017 0.0056 0.0075
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.1406 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0033 0.063 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0017 0.0056 0.5
Echinococcus granulosus endonuclease exonuclease phosphatase 0.019 0.6333 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.1406 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0033 0.063 1
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.1168 0.1845
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.019 0.6333 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.1406 0.1406
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.1406 0.222
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0017 0.0056 0.0075
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0033 0.063 0.0769
Schistosoma mansoni inositol monophosphatase 0.0033 0.063 0.063
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.1168 0.1168
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0033 0.063 0.0838
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0029 0.0507 0.0674
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0017 0.0056 0.04
Echinococcus granulosus inositol monophosphatase 1 0.0033 0.063 0.0995
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.1406 0.222
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0223 0.7524 1
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.1168 0.8311
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0033 0.063 0.0838
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0223 0.7524 1
Echinococcus granulosus geminin 0.015 0.4885 0.7714
Schistosoma mansoni inositol monophosphatase 0.0033 0.063 0.063
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.1406 0.222
Onchocerca volvulus 0.0047 0.1168 1
Trichomonas vaginalis hypothetical protein 0.0223 0.7524 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0029 0.0507 0.0674
Plasmodium falciparum enoyl-acyl carrier reductase 0.0223 0.7524 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0017 0.0056 0.0075
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0223 0.7524 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0017 0.0056 0.0075
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0017 0.0056 0.0075
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0017 0.0056 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.1168 0.8311
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.1168 0.1845
Brugia malayi mbt repeat family protein 0.0047 0.1168 0.8311
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0223 0.7524 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0033 0.063 1
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0223 0.7524 1
Brugia malayi mbt repeat family protein 0.0047 0.1168 0.8311
Echinococcus multilocularis inositol monophosphatase 1 0.0033 0.063 0.0995
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0033 0.063 0.0838
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0017 0.0056 0.0089

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.49 uM Inhibition of Mycobacterium tuberculosis InhA ChEMBL. 17034137
IC50 (binding) = 1.49 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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