Detailed information for compound 1750292

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 334.412 | Formula: C21H22N2O2
  • H donors: 0 H acceptors: 2 LogP: 3.21 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(=O)N1CCN(CC1)C/C=C/c1ccccc1)c1ccccc1
  • InChi: 1S/C21H22N2O2/c24-20(19-11-5-2-6-12-19)21(25)23-16-14-22(15-17-23)13-7-10-18-8-3-1-4-9-18/h1-12H,13-17H2/b10-7+
  • InChiKey: LKAAKDODWQVTQZ-JXMROGBWSA-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
Echinococcus granulosus metabotropic glutamate receptor 5 0.0103 0.0524 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0073 0.0328 0.0328
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0053 0.0199 0.0199
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0067 0.0289 0.2776
Loa Loa (eye worm) hypothetical protein 0.0067 0.0289 0.0289
Plasmodium falciparum macrophage migration inhibitory factor 0.1583 1 1
Loa Loa (eye worm) glutamate receptor 0.0084 0.04 0.04
Trichomonas vaginalis conserved hypothetical protein 0.1583 1 1
Echinococcus granulosus twitchin 0.0067 0.0292 0.2876
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0103 0.0524 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0289 0.0289
Giardia lamblia Macrophage migration inhibitory factor 0.1583 1 1
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.1583 1 1
Brugia malayi hypothetical protein 0.0067 0.0289 0.0289
Loa Loa (eye worm) hypothetical protein 0.0067 0.0289 0.0289
Echinococcus multilocularis Immunoglobulin 0.0067 0.0289 0.2776
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.1583 1 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0095 0.0473 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0289 0.0289
Brugia malayi metabotropic glutamate receptor type 2 0.0041 0.0124 0.0124
Brugia malayi Fibronectin type III domain containing protein 0.0067 0.0289 0.0289
Leishmania major macrophage migration inhibitory factor-like protein 0.1583 1 1
Trypanosoma brucei protein kinase, putative 0.0053 0.0199 0.5
Echinococcus multilocularis metabotropic glutamate receptor 2 0.007 0.0312 0.3498
Loa Loa (eye worm) hypothetical protein 0.0067 0.0289 0.0289
Loa Loa (eye worm) hypothetical protein 0.0103 0.0524 0.0524
Loa Loa (eye worm) hypothetical protein 0.0067 0.0289 0.0289
Loa Loa (eye worm) macrophage migration inhibitory factor 0.1583 1 1
Echinococcus multilocularis roundabout 2 0.0067 0.0289 0.2776
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0067 0.0289 0.472
Onchocerca volvulus 0.0053 0.0199 0.5
Echinococcus granulosus roundabout 2 0.0067 0.0289 0.2776
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0675 0.4187 0.4187
Echinococcus granulosus Immunoglobulin 0.0067 0.0289 0.2776
Schistosoma mansoni nephrin 0.0067 0.0289 0.472
Echinococcus granulosus metabotropic glutamate receptor 2 0.007 0.0312 0.3498
Loa Loa (eye worm) hypothetical protein 0.0067 0.0289 0.0289
Echinococcus granulosus neuroglian 0.0067 0.0289 0.2776
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0073 0.0328 0.0328
Echinococcus multilocularis Immunoglobulin 0.0067 0.0289 0.2776
Schistosoma mansoni cell adhesion molecule 0.0067 0.0289 0.472
Echinococcus multilocularis neuroglian 0.0067 0.0289 0.2776
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.1583 1 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0084 0.04 0.04
Loa Loa (eye worm) glutamate receptor 0.0033 0.0074 0.0074
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0053 0.0199 0.0199
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0067 0.0289 0.2776
Brugia malayi Immunoglobulin I-set domain containing protein 0.0067 0.0289 0.0289
Echinococcus granulosus defective proboscis extension response 0.0067 0.0289 0.2776
Loa Loa (eye worm) hypothetical protein 0.0067 0.0289 0.0289
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0053 0.0199 0.5
Schistosoma mansoni metabotropic glutamate receptor 0.007 0.0312 0.5392
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0067 0.0289 0.472
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0076 0.0349 0.0349
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0053 0.0199 0.2134
Schistosoma mansoni vesicular amine transporter 0.0067 0.0289 0.472
Brugia malayi intracellular kinase 0.0053 0.0199 0.0199
Plasmodium vivax macrophage migration inhibitory factor, putative 0.1583 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0289 0.0289
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0675 0.4187 0.4187
Leishmania major macrophage migration inhibitory factor-like protein 0.1583 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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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