Detailed information for compound 828870

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 327.397 | Formula: C18H17NO3S
  • H donors: 0 H acceptors: 3 LogP: 2.72 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccccc1C(=O)N(C1C=CS(=O)(=O)C1)c1ccccc1
  • InChi: 1S/C18H17NO3S/c1-14-7-5-6-10-17(14)18(20)19(15-8-3-2-4-9-15)16-11-12-23(21,22)13-16/h2-12,16H,13H2,1H3
  • InChiKey: JGPRBKVEUGCMDF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.003 0.001
Loa Loa (eye worm) hypothetical protein 0.304 0.2762 0.913
Echinococcus granulosus caspase 3 0.792 0.7221 0.7216
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.304 0.2762 1
Loa Loa (eye worm) hypothetical protein 0.0287 0.0246 0.0784
Echinococcus multilocularis caspase 1.096 1 1
Schistosoma mansoni hypothetical protein 0.0287 0.0246 0.0228
Trichomonas vaginalis conserved hypothetical protein 0.304 0.2762 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0018 0.003
Schistosoma mansoni transcription factor LCR-F1 0.004 0.002 0.0002
Echinococcus granulosus caspase 1.096 1 1
Plasmodium vivax metacaspase 1, putative 0.304 0.2762 1
Echinococcus multilocularis caspase 3 0.792 0.7221 0.7216
Trypanosoma brucei metacaspase 0.304 0.2762 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.003 0.0012
Trichomonas vaginalis conserved hypothetical protein 0.304 0.2762 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0034 0.0114
Echinococcus granulosus geminin 0.019 0.0157 0.0137
Echinococcus granulosus caspase 8 0.304 0.2762 0.2747
Trypanosoma brucei metacaspase MCA2 0.304 0.2762 1
Trypanosoma cruzi metacaspase 5, putative 0.304 0.2762 1
Brugia malayi MH2 domain containing protein 0.0134 0.0106 0.035
Echinococcus granulosus apoptotic protease activating factor 1 0.0287 0.0246 0.0226
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.304 0.2762 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.003 0.001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.003 0.0012
Loa Loa (eye worm) transcription factor SMAD2 0.0134 0.0106 0.032
Brugia malayi hypothetical protein 0.0287 0.0246 0.0812
Schistosoma mansoni hypothetical protein 0.019 0.0157 0.0139
Trypanosoma cruzi metacaspase, putative 0.304 0.2762 1
Entamoeba histolytica hypothetical protein 0.004 0.002 0.5
Trypanosoma cruzi metacaspase, putative 0.304 0.2762 1
Trichomonas vaginalis conserved hypothetical protein 0.304 0.2762 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.003 0.01
Trypanosoma brucei Metacaspase-4 0.304 0.2762 1
Schistosoma mansoni hypothetical protein 0.004 0.002 0.0002
Echinococcus multilocularis caspase 8 0.304 0.2762 0.2747
Brugia malayi Cell death protein 3 precursor 0.3327 0.3024 1
Echinococcus multilocularis apoptotic protease activating factor 1 0.0287 0.0246 0.0226
Plasmodium falciparum metacaspase 1 0.304 0.2762 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.304 0.2762 1
Trypanosoma cruzi metacaspase, putative 0.304 0.2762 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.003 0.001
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.304 0.2762 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.304 0.2762 0.5
Schistosoma mansoni caspase-3 (C14 family) 1.096 1 1
Trichomonas vaginalis conserved hypothetical protein 0.304 0.2762 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0034 0.0084
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.003 0.0012
Brugia malayi hypothetical protein 0.004 0.002 0.0067
Plasmodium vivax hypothetical protein, conserved 0.304 0.2762 1
Trypanosoma brucei metacaspase MCA3 0.304 0.2762 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 1.096 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0034 0.0084
Schistosoma mansoni hypothetical protein 0.019 0.0157 0.0139
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.304 0.2762 1
Loa Loa (eye worm) hypothetical protein 0.3327 0.3024 1
Entamoeba histolytica hypothetical protein 0.004 0.002 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.304 0.2762 0.5
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.304 0.2762 0.2749
Loa Loa (eye worm) MH2 domain-containing protein 0.0134 0.0106 0.032
Echinococcus multilocularis caspase 2 0.3327 0.3024 0.301
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.304 0.2762 0.5
Schistosoma mansoni caspase-7 (C14 family) 0.3327 0.3024 0.3012
Leishmania major metacaspase, putative 0.304 0.2762 1
Trypanosoma cruzi metacaspase 5, putative 0.304 0.2762 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.304 0.2762 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0018 0.006
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.304 0.2762 0.5
Echinococcus multilocularis geminin 0.019 0.0157 0.0137
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.304 0.2762 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.304 0.2762 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.003 0.001
Entamoeba histolytica hypothetical protein 0.004 0.002 0.5
Entamoeba histolytica hypothetical protein 0.004 0.002 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0034 0.0114
Trichomonas vaginalis conserved hypothetical protein 0.304 0.2762 0.5
Trypanosoma brucei metacaspase 5, putative 0.304 0.2762 1
Brugia malayi hypothetical protein 0.0028 0.0009 0.003
Schistosoma mansoni caspase-7 (C14 family) 1.096 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.003 0.007
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.304 0.2762 0.9133
Trichomonas vaginalis conserved hypothetical protein 0.304 0.2762 0.5
Echinococcus granulosus caspase 2 0.3327 0.3024 0.301
Onchocerca volvulus Cell death protein 3 homolog 0.3327 0.3024 1
Plasmodium falciparum metacaspase-like protein 0.304 0.2762 1
Trypanosoma cruzi metacaspase, putative 0.304 0.2762 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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