Detailed information for compound 1318143

Basic information

Technical information
  • TDR Targets ID: 1318143
  • Name: 2-[[[(4-methylphenyl)sulfonylamino]-phenylmet hylidene]amino]-4-methylsulfanylbutanoic acid
  • MW: 406.519 | Formula: C19H22N2O4S2
  • H donors: 2 H acceptors: 4 LogP: 3.61 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSCCC(C(=O)O)N=C(c1ccccc1)NS(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C19H22N2O4S2/c1-14-8-10-16(11-9-14)27(24,25)21-18(15-6-4-3-5-7-15)20-17(19(22)23)12-13-26-2/h3-11,17H,12-13H2,1-2H3,(H,20,21)(H,22,23)
  • InChiKey: AJDPULPKBKOLIJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[[(4-methylphenyl)sulfonylamino]-phenyl-methylene]amino]-4-methylsulfanyl-butanoic acid
  • 2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylene]amino]-4-(methylthio)butanoic acid
  • 2-[[[(4-methylphenyl)sulfonylamino]-phenyl-methylene]amino]-4-(methylthio)butyric acid
  • 2-[[[(4-methylphenyl)sulfonylamino]-phenyl-methylidene]amino]-4-methylsulfanyl-butanoic acid
  • SMR000372008
  • T0507-8475
  • MLS000757704

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
Schistosoma mansoni tar DNA-binding protein 0.0733 0.3014 0.4491
Onchocerca volvulus 0.0306 0.1075 0.3405
Echinococcus multilocularis mothers against decapentaplegic 5 0.0155 0.0389 0.0627
Loa Loa (eye worm) hypothetical protein 0.0764 0.3157 0.3157
Loa Loa (eye worm) MH1 domain-containing protein 0.0155 0.0389 0.0389
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0155 0.0389 0.0579
Brugia malayi N-terminal motif family protein 0.0764 0.3157 0.3157
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0234 0.0749 1
Brugia malayi MH1 domain containing protein 0.0086 0.0075 0.0075
Brugia malayi RNA recognition motif domain containing protein 0.0733 0.3014 0.3014
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0155 0.0389 0.0627
Brugia malayi Smad1 0.0155 0.0389 0.0389
Brugia malayi latrophilin 2 splice variant baaae 0.1547 0.6711 0.6711
Toxoplasma gondii isocitrate dehydrogenase 0.0234 0.0749 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0716 0.2937 0.4738
Loa Loa (eye worm) MH2 domain-containing protein 0.0155 0.0389 0.0389
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0234 0.0749 1
Echinococcus granulosus smad 0.0155 0.0389 0.0627
Entamoeba histolytica hypothetical protein 0.007 0.0005 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.1434 0.6199 0.6199
Loa Loa (eye worm) glutaminase 0.0307 0.108 0.108
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.2262 0.9962 0.9962
Echinococcus multilocularis tar DNA binding protein 0.0733 0.3014 0.4861
Loa Loa (eye worm) RNA binding protein 0.0733 0.3014 0.3014
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0764 0.3157 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.1434 0.6199 1
Entamoeba histolytica hypothetical protein 0.007 0.0005 0.5
Schistosoma mansoni hypothetical protein 0.033 0.1184 0.1764
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0234 0.0749 0.5
Loa Loa (eye worm) hypothetical protein 0.0716 0.2937 0.2937
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.1434 0.6199 1
Echinococcus multilocularis geminin 0.033 0.1184 0.191
Brugia malayi Latrophilin receptor protein 2 0.0716 0.2937 0.2937
Schistosoma mansoni hypothetical protein 0.1547 0.6711 1
Echinococcus multilocularis Smad4 0.0155 0.0389 0.0627
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0234 0.0749 0.1208
Brugia malayi MH1 domain containing protein 0.0155 0.0389 0.0389
Schistosoma mansoni hypothetical protein 0.0716 0.2937 0.4377
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.007 0.0005 0.0009
Brugia malayi hypothetical protein 0.007 0.0005 0.0005
Echinococcus granulosus tar DNA binding protein 0.0733 0.3014 0.4861
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1434 0.6199 0.9238
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0071 0.0006 0.001
Loa Loa (eye worm) isocitrate dehydrogenase 0.0234 0.0749 0.0749
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0716 0.2937 0.2937
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0234 0.0749 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0155 0.0389 0.0627
Echinococcus granulosus geminin 0.033 0.1184 0.191
Brugia malayi RNA binding protein 0.0733 0.3014 0.3014
Schistosoma mansoni hypothetical protein 0.0716 0.2937 0.4377
Schistosoma mansoni hypothetical protein 0.0071 0.0006 0.0009
Schistosoma mansoni transcription factor LCR-F1 0.007 0.0005 0.0008
Loa Loa (eye worm) transcription factor SMAD2 0.2271 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0234 0.0749 1
Schistosoma mansoni hypothetical protein 0.007 0.0005 0.0008
Brugia malayi glutaminase DH11.1 0.0307 0.108 0.108
Brugia malayi MH2 domain containing protein 0.0155 0.0389 0.0389
Loa Loa (eye worm) pigment dispersing factor receptor c 0.2262 0.9962 0.9962
Loa Loa (eye worm) glutaminase 2 0.0307 0.108 0.108
Echinococcus granulosus Smad4 0.0155 0.0389 0.0627
Schistosoma mansoni hypothetical protein 0.0716 0.2937 0.4377
Brugia malayi hypothetical protein 0.0157 0.04 0.04
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0234 0.0749 0.1208
Schistosoma mansoni tar DNA-binding protein 0.0733 0.3014 0.4491
Schistosoma mansoni hypothetical protein 0.033 0.1184 0.1764
Brugia malayi isocitrate dehydrogenase 0.0234 0.0749 0.0749
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0234 0.0749 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.1434 0.6199 0.6199
Echinococcus multilocularis isocitrate dehydrogenase 0.0234 0.0749 0.1208
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0234 0.0749 0.1208
Loa Loa (eye worm) hypothetical protein 0.0157 0.04 0.04
Loa Loa (eye worm) Smad1 0.0155 0.0389 0.0389
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0071 0.0006 0.001
Schistosoma mansoni glutaminase 0.0307 0.108 0.161
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0716 0.2937 0.4738
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1434 0.6199 0.9238
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0716 0.2937 0.4738
Trichomonas vaginalis glutaminase, putative 0.0307 0.108 0.5
Schistosoma mansoni smad 0.0155 0.0389 0.0579
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0234 0.0749 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0733 0.3014 0.3014
Loa Loa (eye worm) hypothetical protein 0.0086 0.0075 0.0075
Entamoeba histolytica hypothetical protein 0.007 0.0005 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0716 0.2937 0.4738
Brugia malayi Calcitonin receptor-like protein seb-1 0.2262 0.9962 0.9962
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0234 0.0749 0.1208
Loa Loa (eye worm) TAR-binding protein 0.0733 0.3014 0.3014
Loa Loa (eye worm) MH2 domain-containing protein 0.2271 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.1434 0.6199 1
Loa Loa (eye worm) hypothetical protein 0.2262 0.9962 0.9962
Brugia malayi hypothetical protein 0.0306 0.1075 0.1075
Echinococcus granulosus GPCR family 2 0.0716 0.2937 0.4738
Brugia malayi TAR-binding protein 0.0733 0.3014 0.3014
Schistosoma mansoni smad1 5 8 and 0.0155 0.0389 0.0579
Brugia malayi MH1 domain containing protein 0.0155 0.0389 0.0389
Entamoeba histolytica hypothetical protein 0.007 0.0005 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0155 0.0389 0.0627
Brugia malayi MH1 domain containing protein 0.0086 0.0075 0.0075
Schistosoma mansoni Smad4 0.0155 0.0389 0.0579
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.007 0.0005 0.0009
Loa Loa (eye worm) nuclear factor I 0.0086 0.0075 0.0075
Echinococcus multilocularis GPCR, family 2 0.0716 0.2937 0.4738
Loa Loa (eye worm) latrophilin receptor protein 2 0.0716 0.2937 0.2937
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0234 0.0749 1
Schistosoma mansoni hypothetical protein 0.0716 0.2937 0.4377
Loa Loa (eye worm) hypothetical protein 0.0306 0.1075 0.1075
Echinococcus multilocularis smad 0.0155 0.0389 0.0627
Schistosoma mansoni tar DNA-binding protein 0.0733 0.3014 0.4491
Loa Loa (eye worm) hypothetical protein 0.1547 0.6711 0.6711
Brugia malayi Isocitrate dehydrogenase 0.0234 0.0749 0.0749
Schistosoma mansoni smad1 5 8 and 0.0155 0.0389 0.0579
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0234 0.0749 0.1208
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0234 0.0749 0.1116
Schistosoma mansoni smad1 5 8 and 0.0155 0.0389 0.0579
Schistosoma mansoni tar DNA-binding protein 0.0733 0.3014 0.4491
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0234 0.0749 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.1434 0.6199 1
Brugia malayi MH2 domain containing protein 0.0155 0.0389 0.0389
Brugia malayi hypothetical protein 0.0101 0.0147 0.0147
Mycobacterium ulcerans glutaminase 0.0307 0.108 0.5
Schistosoma mansoni tar DNA-binding protein 0.0733 0.3014 0.4491
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1434 0.6199 0.9238

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

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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