Detailed information for compound 645554

Basic information

Technical information
  • TDR Targets ID: 645554
  • Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]-methy lsulfonylamino]-N-cyclopentylacetamide
  • MW: 398.828 | Formula: C15H18ClF3N2O3S
  • H donors: 1 H acceptors: 3 LogP: 3.2 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(S(=O)(=O)C)c1ccc(c(c1)C(F)(F)F)Cl)NC1CCCC1
  • InChi: 1S/C15H18ClF3N2O3S/c1-25(23,24)21(9-14(22)20-10-4-2-3-5-10)11-6-7-13(16)12(8-11)15(17,18)19/h6-8,10H,2-5,9H2,1H3,(H,20,22)
  • InChiKey: KLHIYYCCZDJJTG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[4-chloro-3-(trifluoromethyl)phenyl]-methylsulfonyl-amino]-N-cyclopentyl-acetamide
  • 2-[[4-chloro-3-(trifluoromethyl)phenyl]-mesyl-amino]-N-cyclopentyl-acetamide
  • 2-[[4-chloro-3-(trifluoromethyl)phenyl]-methylsulfonyl-amino]-N-cyclopentyl-ethanamide
  • ZINC00654044
  • AH-487/14754002
  • BAS 02176867

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
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.2478 1
Brugia malayi hypothetical protein 0.0054 0.2478 0.2855
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1946 0.2242
Loa Loa (eye worm) hypothetical protein 0.0034 0.1191 0.1372
Echinococcus granulosus muscleblind protein 0.0149 0.8681 0.8681
Schistosoma mansoni aldehyde dehydrogenase 0.0121 0.6826 0.6826
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.505 0.7321
Loa Loa (eye worm) acetyltransferase 0.0143 0.8298 0.9558
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.505 1
Echinococcus multilocularis muscleblind protein 1 0.0149 0.8681 0.8681
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0121 0.6826 0.6826
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.1487 0.2658
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0546 0.0546
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.1716 0.229
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1946 0.1946
Loa Loa (eye worm) hypothetical protein 0.005 0.2218 0.2554
Schistosoma mansoni kinase 0.0047 0.2062 0.2062
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.505 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.1716 0.3128
Schistosoma mansoni hypothetical protein 0.0024 0.0546 0.0546
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0197 0.0197
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.505 1
Leishmania major hypothetical protein, conserved 0.0054 0.2478 0.3441
Brugia malayi RNA binding protein 0.0134 0.7671 0.8836
Echinococcus multilocularis geminin 0.0169 1 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.1716 0.3128
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0197 0.0227
Brugia malayi TAR-binding protein 0.0134 0.7671 0.8836
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.505 0.505
Loa Loa (eye worm) hypothetical protein 0.0054 0.2478 0.2855
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.6826 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.505 1
Giardia lamblia Kinase, PLK 0.0093 0.505 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1946 0.1946
Schistosoma mansoni hypothetical protein 0.0034 0.1191 0.1191
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0121 0.6826 0.6826
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.2478 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.1716 0.6656
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0121 0.6826 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0197 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.505 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1946 0.1946
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0197 0.5
Schistosoma mansoni tar DNA-binding protein 0.0134 0.7671 0.7671
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0134 0.7671 0.8836
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.1487 0.5654
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1946 0.1946
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.6826 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0546 0.0546
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.505 1
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.2478 0.47
Brugia malayi hypothetical protein 0.0035 0.1236 0.1424
Schistosoma mansoni ap endonuclease 0.0019 0.0197 0.0197
Loa Loa (eye worm) TAR-binding protein 0.0134 0.7671 0.8836
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.8036 0.8036
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.2478 1
Schistosoma mansoni hypothetical protein 0.0169 1 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.8681 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.505 0.5817
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.1487 0.2658
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.1716 0.1716
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1946 0.2242
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.505 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.505 1
Schistosoma mansoni tar DNA-binding protein 0.0134 0.7671 0.7671
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.505 0.505
Echinococcus granulosus tar DNA binding protein 0.0134 0.7671 0.7671
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0197 0.0227
Brugia malayi RNA recognition motif domain containing protein 0.0134 0.7671 0.8836
Loa Loa (eye worm) hypothetical protein 0.0149 0.8681 1
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.1982 0.3677
Schistosoma mansoni aldehyde dehydrogenase 0.0121 0.6826 0.6826
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 0.8298 0.8298
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.505 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.2478 0.47
Schistosoma mansoni ap endonuclease 0.0019 0.0197 0.0197
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2218 0.2554
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1191 0.1372
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.505 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2218 0.2554
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1946 0.1946
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2218 0.2554
Schistosoma mansoni hypothetical protein 0.0169 1 1
Brugia malayi Muscleblind-like protein 0.0149 0.8681 1
Echinococcus multilocularis tar DNA binding protein 0.0134 0.7671 0.7671
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.1716 0.229
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.505 0.505
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0197 0.0197
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 0.8298 0.8298
Schistosoma mansoni tar DNA-binding protein 0.0134 0.7671 0.7671
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.2478 0.3441
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.505 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.2478 0.47
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1946 0.1946
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1946 0.1946
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.505 0.5817
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.6826 1
Echinococcus multilocularis muscleblind protein 0.0149 0.8681 0.8681
Loa Loa (eye worm) RNA binding protein 0.0134 0.7671 0.8836
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0121 0.6826 1
Trypanosoma brucei polo-like protein kinase 0.0093 0.505 1
Brugia malayi acetyltransferase, GNAT family protein 0.0143 0.8298 0.9558
Toxoplasma gondii aldehyde dehydrogenase 0.0121 0.6826 1
Schistosoma mansoni tar DNA-binding protein 0.0134 0.7671 0.7671
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.1982 0.3677
Schistosoma mansoni tar DNA-binding protein 0.0134 0.7671 0.7671

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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