Detailed information for compound 1816351

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 310.37 | Formula: C17H14N2O2S
  • H donors: 2 H acceptors: 1 LogP: 3.11 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1c1[nH]c(=S)nc(c1)c1ccccc1O
  • InChi: 1S/C17H14N2O2S/c1-21-16-9-5-3-7-12(16)14-10-13(18-17(22)19-14)11-6-2-4-8-15(11)20/h2-10,20H,1H3,(H,18,19,22)
  • InChiKey: VORBEFZNJDYMFP-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
Loa Loa (eye worm) glutamate receptor 0.0031 0.004 0.004
Schistosoma mansoni metabotropic glutamate receptor 0.0066 0.0171 0.5392
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0048 0.0105 0.0374
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0098 0.0098
Onchocerca volvulus 0.0048 0.0105 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0046 0.0098 0.0098
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0046 0.0098 0.1574
Leishmania major macrophage migration inhibitory factor-like protein 0.2679 1 1
Brugia malayi metabotropic glutamate receptor type 2 0.0038 0.0068 0.0068
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0071 0.0191 0.0191
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.1143 0.4223 0.4223
Brugia malayi intracellular kinase 0.0048 0.0105 0.0105
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.2679 1 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.005 0.0114 0.0114
Schistosoma mansoni vesicular amine transporter 0.0046 0.0098 0.1574
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0066 0.0171 0.3867
Loa Loa (eye worm) hypothetical protein 0.0046 0.0098 0.0098
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.2679 1 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0078 0.0219 0.0219
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0048 0.0105 0.1943
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0048 0.0105 0.0374
Loa Loa (eye worm) hypothetical protein 0.0046 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0046 0.0098 0.0098
Leishmania major macrophage migration inhibitory factor-like protein 0.2679 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0098 0.0098
Schistosoma mansoni cell adhesion molecule 0.0046 0.0098 0.1574
Trichomonas vaginalis conserved hypothetical protein 0.2679 1 1
Trypanosoma brucei protein kinase, putative 0.0048 0.0105 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.005 0.0114 0.0114
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0096 0.0287 1
Echinococcus multilocularis protein kinase shaggy 0.0048 0.0105 0.0374
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.1143 0.4223 0.4223
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0046 0.0098 0.1574
Loa Loa (eye worm) hypothetical protein 0.0046 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0046 0.0098 0.0098
Brugia malayi Fibronectin type III domain containing protein 0.0046 0.0098 0.0098
Echinococcus granulosus metabotropic glutamate receptor 2 0.0066 0.0171 0.3867
Loa Loa (eye worm) hypothetical protein 0.0096 0.0287 0.0287
Echinococcus granulosus twitchin 0.0047 0.01 0.0092
Loa Loa (eye worm) glutamate receptor 0.0078 0.0219 0.0219
Plasmodium falciparum macrophage migration inhibitory factor 0.2679 1 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0048 0.0105 0.5
Echinococcus granulosus metabotropic glutamate receptor 5 0.0096 0.0287 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0098 0.0098
Plasmodium vivax macrophage migration inhibitory factor, putative 0.2679 1 1
Giardia lamblia Macrophage migration inhibitory factor 0.2679 1 1
Schistosoma mansoni nephrin 0.0046 0.0098 0.1574
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0089 0.0259 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0048 0.0105 0.0105
Brugia malayi hypothetical protein 0.0046 0.0098 0.0098
Loa Loa (eye worm) macrophage migration inhibitory factor 0.2679 1 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0048 0.0105 0.0105
Echinococcus granulosus protein kinase shaggy 0.0048 0.0105 0.0374
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.2679 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 164.44 uM Cytotoxicity against Homo sapiens (human) HepG2 cells after 72 hr by MTT assay 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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