Detailed information for compound 1788858

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 257.308 | Formula: C14H11NO2S
  • H donors: 0 H acceptors: 1 LogP: 3.46 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1Oc1ccnc2c1scc2
  • InChi: 1S/C14H11NO2S/c1-16-11-4-2-3-5-12(11)17-13-6-8-15-10-7-9-18-14(10)13/h2-9H,1H3
  • InChiKey: VNPAJRIGTNQSFX-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
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0369 0.9727 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0722 0.0742
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0378 1 1
Onchocerca volvulus 0.0026 0 0.5
Trypanosoma brucei C-8 sterol isomerase, putative 0.0369 0.9727 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.0035 0.0259 0.359
Trichomonas vaginalis hypothetical protein 0.0378 1 0.5
Leishmania major C-8 sterol isomerase-like protein 0.0369 0.9727 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.4616 0.4746
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0026 0 0.5
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0038 0.034 0.0349
Loa Loa (eye worm) glutamate receptor 0.0042 0.045 0.0463
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0051 0.0722 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0042 0.045 0.0463
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0047 0.0611 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0378 1 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0378 1 1
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0378 1 1
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0378 1 1
Plasmodium falciparum enoyl-acyl carrier reductase 0.0378 1 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0369 0.9727 1
Loa Loa (eye worm) hypothetical protein 0.0369 0.9727 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0035 0.0259 0.359
Echinococcus granulosus metabotropic glutamate receptor 5 0.0051 0.0722 1
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0378 1 1
Schistosoma mansoni metabotropic glutamate receptor 0.0035 0.0259 0.4239
Onchocerca volvulus 0.0026 0 0.5

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 91.15 uM Growth inhibition of human HCT15 cells after 48 hrs by SRB assay ChEMBL. 24121236

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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