Detailed information for compound 1639612

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 503.639 | Formula: C30H40F3NO2
  • H donors: 1 H acceptors: 2 LogP: 6 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(CCC(c1ccc(cc1c1ccc(cc1)C(F)(F)F)CC(=O)O)N1CCC(CC1)C(C)(C)C)C
  • InChi: 1S/C30H40F3NO2/c1-20(2)6-13-27(34-16-14-23(15-17-34)29(3,4)5)25-12-7-21(19-28(35)36)18-26(25)22-8-10-24(11-9-22)30(31,32)33/h7-12,18,20,23,27H,6,13-17,19H2,1-5H3,(H,35,36)
  • InChiKey: KSQOOLJKICGLTJ-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
Brugia malayi Receptor family ligand binding region containing protein 0.0132 0.0841 0.1204
Loa Loa (eye worm) hypothetical protein 0.0132 0.0841 0.0945
Loa Loa (eye worm) glutamate receptor 0.0502 0.6985 0.7853
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0081 0 0.5
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0684 1 0.5
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0132 0.0841 0.0945
Loa Loa (eye worm) glutamate receptor 0.0196 0.1909 0.2147
Loa Loa (eye worm) hypothetical protein 0.0618 0.8895 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0618 0.8895 1
Entamoeba histolytica fatty acid elongase, putative 0.0089 0.0132 0.5
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0684 1 0.5
Entamoeba histolytica fatty acid elongase, putative 0.0089 0.0132 0.5
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0684 1 0.5
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0421 0.5644 0.6346
Schistosoma mansoni metabotropic glutamate receptor 0.0421 0.5644 0.7008
Onchocerca volvulus Poor gastrulation protein homolog 0.0081 0 0.5
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0684 1 0.5
Echinococcus granulosus metabotropic glutamate receptor 5 0.0618 0.8895 1
Entamoeba histolytica fatty acid elongase, putative 0.0089 0.0132 0.5
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0452 0.6144 0.8796
Echinococcus granulosus metabotropic glutamate receptor 2 0.0421 0.5644 0.6346
Entamoeba histolytica fatty acid elongase, putative 0.0089 0.0132 0.5
Schistosoma mansoni metabotropic glutamate receptor 0.0247 0.275 0.3415
Entamoeba histolytica fatty acid elongase, putative 0.0089 0.0132 0.5
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0684 1 0.5
Brugia malayi metabotropic glutamate receptor type 2 0.0247 0.275 0.3937
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0567 0.8054 1
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0684 1 0.5
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0684 1 0.5
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0132 0.0841 0.0945
Brugia malayi Metabotropic glutamate receptor precursor. 0.0502 0.6985 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.
 
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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