Detailed information for compound 1736533

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 446.561 | Formula: C26H26N2O3S
  • H donors: 1 H acceptors: 3 LogP: 4.84 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1[C@@H]2CC[C@H]1C[C@H](C2)S(=O)(=O)c1ccccc1)Nc1ccc(cc1)c1ccccc1
  • InChi: 1S/C26H26N2O3S/c29-26(27-21-13-11-20(12-14-21)19-7-3-1-4-8-19)28-22-15-16-23(28)18-25(17-22)32(30,31)24-9-5-2-6-10-24/h1-14,22-23,25H,15-18H2,(H,27,29)/t22-,23+,25+
  • InChiKey: KHOLCQIAUKGSGB-FVRPBGSPSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ELOVL fatty acid elongase 6 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Toxoplasma gondii GNS1/SUR4 family protein Get druggable targets OG5_127859 All targets in OG5_127859
Neospora caninum GNS1/SUR4 domain containing protein, related Get druggable targets OG5_127859 All targets in OG5_127859
Plasmodium knowlesi fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Leishmania donovani fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Neospora caninum GNS1/SUR4 family domain-containing protein, putative Get druggable targets OG5_127859 All targets in OG5_127859
Leishmania infantum fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Plasmodium falciparum long chain fatty acid elongation enzyme, putative Get druggable targets OG5_127859 All targets in OG5_127859
Leishmania mexicana fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Trypanosoma cruzi fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Cryptosporidium hominis fatty-acyl elongase Get druggable targets OG5_127859 All targets in OG5_127859
Plasmodium yoelii unnamed protein product, putative Get druggable targets OG5_127859 All targets in OG5_127859
Plasmodium berghei long chain fatty acid elongation enzyme, putative Get druggable targets OG5_127859 All targets in OG5_127859
Leishmania infantum fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Leishmania mexicana fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Loa Loa (eye worm) GNS1/SUR4 family protein Get druggable targets OG5_127859 All targets in OG5_127859
Trypanosoma brucei Fatty acid elongase Get druggable targets OG5_127859 All targets in OG5_127859
Trypanosoma cruzi fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Leishmania braziliensis fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Plasmodium vivax GNS1/SUR4 domain containing protein Get druggable targets OG5_127859 All targets in OG5_127859
Brugia malayi Fatty acid elongation protein 3 Get druggable targets OG5_127859 All targets in OG5_127859
Plasmodium falciparum fatty acid elongation protein, GNS1/SUR4 family, putative Get druggable targets OG5_127859 All targets in OG5_127859
Plasmodium yoelii 30 kDa glycoprotein Get druggable targets OG5_127859 All targets in OG5_127859
Loa Loa (eye worm) fatty acid elongation protein 3 Get druggable targets OG5_127859 All targets in OG5_127859
Candida albicans one of three potential fatty acid elongase genes similar to S. cerevisiae FEN1 (YCR034W), SUR4 (YLR372W) and ELO1 (YJL196C ELO1) Get druggable targets OG5_127859 All targets in OG5_127859
Trypanosoma congolense fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Leishmania braziliensis fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Brugia malayi GNS1/SUR4 family protein Get druggable targets OG5_127859 All targets in OG5_127859
Leishmania major fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Candida albicans one of three potential fatty acid elongase genes similar to S. cerevisiae FEN1 (YCR034W), SUR4 (YLR372W) and ELO1 (YJL196C ELO1) Get druggable targets OG5_127859 All targets in OG5_127859
Cryptosporidium parvum 7 pass integral membrane proteinwith FLHWFHH motif shared with fatty-acyl elongase Get druggable targets OG5_127859 All targets in OG5_127859
Leishmania mexicana fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Leishmania major fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Leishmania donovani fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Trypanosoma cruzi fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Leishmania infantum fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Toxoplasma gondii integral membrane protein, GNS1/SUR4 family protein, putative Get druggable targets OG5_127859 All targets in OG5_127859
Leishmania braziliensis fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Trypanosoma brucei gambiense fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Trypanosoma cruzi fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859
Leishmania donovani fatty acid elongase, putative Get druggable targets OG5_127859 All targets in OG5_127859

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei Fatty acid elongase ELOVL fatty acid elongase 6 265 aa 259 aa 34.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Entamoeba histolytica hexokinase 2 0.086 1 0.5
Echinococcus granulosus hexokinase 0.086 1 0.5
Trypanosoma brucei hexokinase, putative 0.086 1 1
Loa Loa (eye worm) hexokinase type II 0.086 1 1
Onchocerca volvulus 0.086 1 1
Loa Loa (eye worm) hypothetical protein 0.0273 0.2758 0.2758
Brugia malayi Hexokinase family protein 0.0539 0.6043 0.6043
Treponema pallidum hexokinase (hxk) 0.086 1 0.5
Trypanosoma brucei hexokinase 0.086 1 1
Onchocerca volvulus 0.0539 0.6043 0.4804
Loa Loa (eye worm) hexokinase 0.086 1 1
Onchocerca volvulus 0.086 1 1
Loa Loa (eye worm) hypothetical protein 0.0273 0.2758 0.2758
Loa Loa (eye worm) hexokinase 0.0266 0.2667 0.2667
Echinococcus multilocularis hexokinase type 2 0.086 1 0.5
Onchocerca volvulus 0.086 1 1
Brugia malayi Hexokinase family protein 0.0266 0.2667 0.2667
Brugia malayi Hexokinase family protein 0.086 1 1
Echinococcus granulosus hexokinase type 2 0.086 1 0.5
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0237 0.2313 0.2313
Trypanosoma cruzi hexokinase, putative 0.086 1 1
Entamoeba histolytica hexokinase 1 0.086 1 0.5
Schistosoma mansoni hexokinase 0.086 1 0.5
Echinococcus multilocularis hexokinase 0.086 1 0.5
Echinococcus multilocularis hexokinase 0.086 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0232 0.2249 0.2249
Trypanosoma brucei hexokinase 0.086 1 1
Echinococcus granulosus hexokinase 0.086 1 0.5
Loa Loa (eye worm) hexokinase 0.0539 0.6043 0.6043
Trypanosoma cruzi hexokinase, putative 0.086 1 1
Plasmodium falciparum hexokinase 0.086 1 1
Loa Loa (eye worm) hypothetical protein 0.0586 0.6624 0.6624
Echinococcus granulosus hexokinase 0.086 1 0.5
Plasmodium vivax hexokinase, putative 0.086 1 1
Brugia malayi hexokinase type II 0.0273 0.2758 0.2758
Leishmania major hexokinase, putative 0.086 1 1
Brugia malayi nuclear hormone receptor 0.0237 0.2313 0.2313
Loa Loa (eye worm) hexokinase 0.086 1 1
Onchocerca volvulus Hexokinase homolog 0.0539 0.6043 0.4804
Toxoplasma gondii hexokinase 0.086 1 1
Echinococcus multilocularis hexokinase 0.086 1 0.5
Leishmania major hexokinase, putative 0.086 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10000 nM Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168 ChEMBL. 19522500

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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