Detailed information for compound 1069871

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 398.764 | Formula: C18H14ClF3N2O3
  • H donors: 2 H acceptors: 2 LogP: 4.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2ccc(cc2C(O1)(CNC(=O)c1cccc(c1)C)C(F)(F)F)Cl
  • InChi: 1S/C18H14ClF3N2O3/c1-10-3-2-4-11(7-10)15(25)23-9-17(18(20,21)22)13-8-12(19)5-6-14(13)24-16(26)27-17/h2-8H,9H2,1H3,(H,23,25)(H,24,26)
  • InChiKey: LHUFNHXNZDUMLT-UHFFFAOYSA-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
Trypanosoma congolense 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
Leishmania donovani 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
Cryptosporidium hominis fatty-acyl elongase 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
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
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 cruzi fatty acid elongase, putative 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
Neospora caninum GNS1/SUR4 family domain-containing protein, putative 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
Brugia malayi Fatty acid elongation protein 3 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 parvum 7 pass integral membrane proteinwith FLHWFHH motif shared with fatty-acyl elongase 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
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
Trypanosoma cruzi fatty acid elongase, putative 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 major 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
Leishmania braziliensis 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
Leishmania infantum fatty acid elongase, 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
Neospora caninum GNS1/SUR4 domain containing protein, related 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 yoelii 30 kDa glycoprotein 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
Toxoplasma gondii GNS1/SUR4 family protein 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
Toxoplasma gondii integral membrane protein, GNS1/SUR4 family protein, 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
Trypanosoma cruzi 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
Leishmania major fatty acid elongase, putative 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
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
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0021 0.0037 0.0037
Echinococcus multilocularis voltage gated potassium channel 0.0021 0.0037 0.0037
Leishmania major fatty acid elongase, putative 0.005 0.0468 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0021 0.0037 0.0037
Echinococcus multilocularis hypothetical protein 0.0207 0.2821 0.2821
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0021 0.0037 0.0037
Loa Loa (eye worm) GNS1/SUR4 family protein 0.005 0.0468 0.9379
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0037 0.0037
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0354 0.5012 0.5012
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0061 0.1308
Brugia malayi Cytochrome P450 family protein 0.0023 0.0061 0.1227
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0021 0.0037 0.0037
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0021 0.0037 0.0193
Leishmania major cytochrome p450-like protein 0.0023 0.0061 0.1308
Leishmania major fatty acid elongase, putative 0.005 0.0468 1
Toxoplasma gondii integral membrane protein, GNS1/SUR4 family protein, putative 0.005 0.0468 1
Brugia malayi Fatty acid elongation protein 3 0.005 0.0468 0.9379
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0354 0.5012 0.5012
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0139 0.1805 0.1805
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0021 0.0037 0.0037
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0021 0.0037 0.0037
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0037 0.0037
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0021 0.0037 0.0037
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0061 0.1308
Echinococcus granulosus voltage gated potassium channel 0.0021 0.0037 0.0037
Trypanosoma cruzi fatty acid elongase, putative 0.005 0.0468 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.0499 1
Trypanosoma cruzi fatty acid elongase, putative 0.005 0.0468 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0146 0.1911 1
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0037 0.0037
Brugia malayi Cytochrome P450 family protein 0.0023 0.0061 0.1227
Plasmodium falciparum long chain fatty acid elongation enzyme, putative 0.005 0.0468 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0021 0.0037 0.0739
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0037 0.0037
Echinococcus granulosus hyperpolarization activated cyclic 0.0354 0.5012 0.5012
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0061 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0021 0.0037 0.0739
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0061 0.1227
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0037 0.0037
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0021 0.0037 0.0037
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0021 0.0037 0.0739
Plasmodium falciparum fatty acid elongation protein, GNS1/SUR4 family, putative 0.005 0.0468 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0354 0.5012 0.5012
Trypanosoma cruzi fatty acid elongase, putative 0.005 0.0468 1
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0061 0.1227
Loa Loa (eye worm) hypothetical protein 0.0021 0.0037 0.0739
Echinococcus multilocularis hyperpolarization activated cyclic 0.0354 0.5012 0.5012
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0021 0.0037 0.0739
Echinococcus multilocularis hyperpolarization activated cyclic 0.0354 0.5012 0.5012
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0354 0.5012 0.5012
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0021 0.0037 0.0037
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0021 0.0037 0.0037
Brugia malayi Cytochrome P450 family protein 0.0052 0.0499 1
Schistosoma mansoni hypothetical protein 0.0207 0.2821 0.2821
Toxoplasma gondii GNS1/SUR4 family protein 0.005 0.0468 1
Brugia malayi GNS1/SUR4 family protein 0.005 0.0468 0.9379
Plasmodium vivax GNS1/SUR4 domain containing protein 0.005 0.0468 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0037 0.0739
Trypanosoma cruzi fatty acid elongase, putative 0.005 0.0468 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0354 0.5012 0.5012
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0021 0.0037 0.0739
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0061 0.1227
Brugia malayi Cyclic-nucleotide gated cation channel 0.0021 0.0037 0.0739
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0021 0.0037 0.0037
Loa Loa (eye worm) fatty acid elongation protein 3 0.005 0.0468 0.9379
Trypanosoma brucei cytochrome P450, putative 0.0023 0.0061 0.1308
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0021 0.0037 0.0037
Trypanosoma brucei Fatty acid elongase 0.005 0.0468 1
Echinococcus granulosus Ion_trans_N domain containing protein 0.0207 0.2821 0.2821
Leishmania major fatty acid elongase, putative 0.005 0.0468 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 437 nM Inhibition of human ELOVL6 expressed in Pichia pastoris using palmitoyl-CoA by long chain fatty acyl-CoA elongation assay ChEMBL. 19883081

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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