Detailed information for compound 1136179

Basic information

Technical information
  • TDR Targets ID: 1136179
  • Name: 2,6-dichloro-N-[4-chloro-3-(2-dimethylaminoet hoxy)phenyl]-4-(trifluoromethyl)benzenesulfon amide
  • MW: 491.74 | Formula: C17H16Cl3F3N2O3S
  • H donors: 1 H acceptors: 2 LogP: 5.22 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCOc1cc(ccc1Cl)NS(=O)(=O)c1c(Cl)cc(cc1Cl)C(F)(F)F)C
  • InChi: 1S/C17H16Cl3F3N2O3S/c1-25(2)5-6-28-15-9-11(3-4-12(15)18)24-29(26,27)16-13(19)7-10(8-14(16)20)17(21,22)23/h3-4,7-9,24H,5-6H2,1-2H3
  • InChiKey: UIZHOFJFIOCYLH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Urotensin-2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania infantum ATP synthase, putative Urotensin-2   123 aa 108 aa 26.9 %
Trypanosoma congolense DNA replication licensing factor MCM2, putative Urotensin-2   123 aa 99 aa 28.3 %
Leishmania major ATP synthase, putative Urotensin-2   123 aa 108 aa 26.9 %
Leishmania braziliensis hypothetical protein, conserved Urotensin-2   123 aa 112 aa 25.0 %
Onchocerca volvulus Urotensin-2   123 aa 111 aa 26.1 %
Leishmania braziliensis hypothetical protein, conserved Urotensin-2   123 aa 118 aa 28.8 %
Leishmania donovani ATP synthase, putative Urotensin-2   123 aa 108 aa 26.9 %
Trichomonas vaginalis conserved hypothetical protein Urotensin-2   123 aa 102 aa 20.6 %
Leishmania mexicana ATP synthase, putative Urotensin-2   123 aa 108 aa 26.9 %
Neospora caninum thioredoxin domain-containing protein, putative Urotensin-2   123 aa 110 aa 29.1 %
Neospora caninum hypothetical protein, conserved Urotensin-2   123 aa 119 aa 25.2 %
Trypanosoma cruzi DNA replication licensing factor MCM2, putative Urotensin-2   123 aa 101 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.4611 0.6266
Schistosoma mansoni bromodomain containing protein 0.0072 0.7978 1
Schistosoma mansoni ap endonuclease 0.0019 0.0005 0.0006
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.4611 0.578
Brugia malayi Cytochrome P450 family protein 0.0057 0.5697 0.5695
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.736 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0005 0.0005
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0039 0.2977 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0005 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0005 0.5
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0039 0.2977 0.4045
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0106 0.0114
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0005 0.5
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0039 0.2977 0.4045
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.3258 0.4427
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.4611 0.4609
Leishmania major hypothetical protein, conserved 0.0039 0.2977 1
Schistosoma mansoni zinc finger protein 0.0022 0.0435 0.0546
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0039 0.2977 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.4611 0.6266
Loa Loa (eye worm) hypothetical protein 0.0046 0.4087 0.4413
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0039 0.2977 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0005 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.4611 0.578
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0039 0.2977 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.4611 0.6266
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0005 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0005 0.5
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0039 0.2977 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0005 0.0007
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0947 0.1287
Loa Loa (eye worm) cytochrome P450 family protein 0.0057 0.5697 0.6151
Loa Loa (eye worm) hypothetical protein 0.0044 0.3679 0.3972
Echinococcus granulosus zinc finger protein 0.0022 0.0435 0.0592
Toxoplasma gondii Erv1 / Alr family protein 0.0039 0.2977 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.4611 0.4979
Brugia malayi Augmenter of liver regeneration 0.0039 0.2977 0.2974
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0618 0.0667
Toxoplasma gondii Erv1 / Alr family protein 0.0039 0.2977 1
Loa Loa (eye worm) hepatopoietin HPO2 0.0039 0.2977 0.3214
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.3258 0.4427
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0947 0.1287
Loa Loa (eye worm) hypothetical protein 0.008 0.9262 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0005 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0005 0.5
Brugia malayi Bromodomain containing protein 0.0043 0.3667 0.3663
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0005 0.0007
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0947 0.1188
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.4611 0.6266
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.736 1
Schistosoma mansoni ap endonuclease 0.0019 0.0005 0.0006
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0039 0.2977 1
Schistosoma mansoni hypothetical protein 0.0023 0.0618 0.0774
Echinococcus multilocularis zinc finger protein 0.0022 0.0435 0.0592
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.4611 0.578
Loa Loa (eye worm) hypothetical protein 0.0048 0.4417 0.4769
Brugia malayi PHD-finger family protein 0.0028 0.1356 0.1352

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 64 % Reduction in atherosclerotic lesion size in Apo-E knockout mouse at 30 mg/kg, po qd for 10 weeks ChEMBL. 20043680
Ki (binding) = 121 nM Binding affinity to rat urotensin 2 receptor ChEMBL. 20043680

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

No literature references available for this target.

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