Detailed information for compound 917710

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 316.375 | Formula: C16H16N2O3S
  • H donors: 1 H acceptors: 3 LogP: 2.86 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(cc1C)C#N
  • InChi: 1S/C16H16N2O3S/c1-11-8-13(10-17)9-12(2)16(11)18-22(19,20)15-6-4-14(21-3)5-7-15/h4-9,18H,1-3H3
  • InChiKey: QQYODCOLVLKDDQ-UHFFFAOYSA-N  

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
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0029 0.0111
Echinococcus multilocularis snurportin 1 0.0303 0.2095 1
Brugia malayi Telomerase reverse transcriptase 0.0995 0.7226 1
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0056 0.0266
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0056 0.0212
Plasmodium vivax telomerase reverse transcriptase, putative 0.0374 0.2619 1
Toxoplasma gondii RNA-directed DNA polymerase 0.0374 0.2619 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0029 0.0111
Plasmodium vivax importin-beta 2, putative 0.0028 0.0056 0.0212
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0029 0.0111
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0029 0.0111
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0056 0.0212
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0016 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0029 0.0139
Entamoeba histolytica hypothetical protein 0.0023 0.0016 1
Schistosoma mansoni hypothetical protein 0.0303 0.2095 1
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0016 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0303 0.2095 1
Plasmodium falciparum importin beta, putative 0.0028 0.0056 0.0212
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0374 0.2619 1
Trypanosoma brucei telomerase reverse transcriptase 0.0374 0.2619 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0374 0.2619 1
Giardia lamblia Telomerase catalytic subunit 0.0374 0.2619 1
Schistosoma mansoni importin beta-1 0.0028 0.0056 0.0266
Brugia malayi Importin beta-1 subunit 0.0028 0.0056 0.0077
Loa Loa (eye worm) hypothetical protein 0.0028 0.0056 0.0266
Echinococcus granulosus snurportin 1 0.0303 0.2095 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0029 0.0111
Echinococcus granulosus importin subunit beta 1 0.0028 0.0056 0.0266
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0056 0.0212
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0029 0.0111
Leishmania major telomerase reverse transcriptase, putative 0.0374 0.2619 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0016 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0016 0.006
Leishmania major hypothetical protein, conserved 0.0025 0.0029 0.0111
Brugia malayi RNA, U transporter 1 0.0081 0.0444 0.0615
Brugia malayi hypothetical protein 0.0025 0.0029 0.004
Leishmania major importin beta-1 subunit, putative 0.0023 0.0016 0.006
Plasmodium falciparum telomerase reverse transcriptase 0.0374 0.2619 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0029 0.0111

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 4.5 Agonist activity at human FFA4 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR ChEMBL. 24881566

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

1 literature reference was collected for this gene.

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