Detailed information for compound 712122

Basic information

Technical information
  • TDR Targets ID: 712122
  • Name: N-(4-chlorophenyl)-2-[1-(2-ethylphenyl)-2,5-d ioxopyrrolidin-3-yl]sulfanylacetamide
  • MW: 402.894 | Formula: C20H19ClN2O3S
  • H donors: 1 H acceptors: 3 LogP: 3.81 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccccc1N1C(=O)CC(C1=O)SCC(=O)Nc1ccc(cc1)Cl
  • InChi: 1S/C20H19ClN2O3S/c1-2-13-5-3-4-6-16(13)23-19(25)11-17(20(23)26)27-12-18(24)22-15-9-7-14(21)8-10-15/h3-10,17H,2,11-12H2,1H3,(H,22,24)
  • InChiKey: ZCRWDHDLPVCWOZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-chlorophenyl)-2-[1-(2-ethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-acetamide
  • N-(4-chlorophenyl)-2-[[1-(2-ethylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]acetamide
  • N-(4-chlorophenyl)-2-[[1-(2-ethylphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]acetamide
  • N-(4-chlorophenyl)-2-[1-(2-ethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-ethanamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0073 0.05
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.0462 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0073 0.1221
Loa Loa (eye worm) hypothetical protein 0.0035 0.0073 0.1221
Entamoeba histolytica hypothetical protein 0.0071 0.1276 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0047 0.0462 0.0716
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0073 0.0213
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.1276 0.3691
Mycobacterium ulcerans lipase LipD 0.0035 0.0073 0.0213
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0073 0.0113
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0528 0.4095
Entamoeba histolytica hypothetical protein 0.0071 0.1276 1
Schistosoma mansoni thyroid hormone receptor 0.0135 0.3441 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0515 0.975
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0047 0.0462 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.1276 0.1212
Mycobacterium tuberculosis Conserved protein 0.0035 0.0073 0.0113
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0073 0.0185
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0073 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0064 0.1058
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0125 0.3102 0.3052
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0073 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0462 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0073 0.1221
Loa Loa (eye worm) hypothetical protein 0.0047 0.0462 0.8725
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0073 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0528 0.4095
Loa Loa (eye worm) hypothetical protein 0.0049 0.0528 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0073 0.1221
Onchocerca volvulus 0.0048 0.0515 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0073 0.1221
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0073 0.0113
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0073 0.0113
Mycobacterium ulcerans hypothetical protein 0.0035 0.0073 0.0213
Brugia malayi beta-lactamase family protein 0.0035 0.0073 0.05
Loa Loa (eye worm) beta-lactamase 0.0035 0.0073 0.1221
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0035 0.0064 0.5
Entamoeba histolytica hypothetical protein 0.0071 0.1276 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0073 0.0113
Toxoplasma gondii ABC1 family protein 0.0035 0.0073 0.5
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0515 0.1474
Mycobacterium tuberculosis Conserved protein 0.0035 0.0073 0.0113
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0073 0.5
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0462 0.3573
Brugia malayi beta-lactamase 0.0035 0.0073 0.05
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0073 0.0113
Loa Loa (eye worm) hypothetical protein 0.0035 0.0064 0.1058
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0125 0.3102 0.3052
Echinococcus multilocularis tumor protein p63 0.0329 1 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0047 0.0462 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0462 0.8725
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0073 0.0213
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0073 0.0113
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0462 1
Trichomonas vaginalis esterase, putative 0.0035 0.0073 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0462 1
Schistosoma mansoni hypothetical protein 0.0071 0.1276 0.3691
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0462 0.3573
Loa Loa (eye worm) hypothetical protein 0.0047 0.0462 0.8725
Loa Loa (eye worm) hypothetical protein 0.0035 0.0064 0.1058
Loa Loa (eye worm) hypothetical protein 0.0035 0.0073 0.1221
Loa Loa (eye worm) hypothetical protein 0.0035 0.0064 0.1058
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0047 0.0462 1
Schistosoma mansoni thyroid hormone receptor 0.0135 0.3441 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0462 1
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0073 0.0113
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.6453 1
Entamoeba histolytica hypothetical protein 0.0071 0.1276 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0073 0.5
Mycobacterium ulcerans hypothetical protein 0.0047 0.0462 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0135 0.3441 0.3393
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0462 0.3573
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0073 0.5
Onchocerca volvulus 0.0047 0.0462 0.8798
Mycobacterium ulcerans beta-lactamase 0.0035 0.0073 0.0213
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0073 0.5
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0047 0.0462 0.0716
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.1276 0.1212
Brugia malayi hypothetical protein 0.0071 0.1276 1
Brugia malayi beta-lactamase family protein 0.0035 0.0073 0.05
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0073 0.0113
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0462 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0528 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0073 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0047 0.0462 1
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.0064 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0073 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0073 0.1221
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0462 1
Schistosoma mansoni hypothetical protein 0.0125 0.3102 0.9014
Loa Loa (eye worm) hypothetical protein 0.0035 0.0064 0.1058
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.0462 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0064 0.0099
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0073 0.0185

Activities

No activities found for this compound.

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.

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