Detailed information for compound 1076654

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 446.535 | Formula: C23H27FN2O4S
  • H donors: 1 H acceptors: 3 LogP: 3.72 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Oc1ccc(cc1)NC(=O)[C@@H]1C[C@@H]2CC[C@@H]1N(C2)S(=O)(=O)c1ccccc1F)C
  • InChi: 1S/C23H27FN2O4S/c1-15(2)30-18-10-8-17(9-11-18)25-23(27)19-13-16-7-12-21(19)26(14-16)31(28,29)22-6-4-3-5-20(22)24/h3-6,8-11,15-16,19,21H,7,12-14H2,1-2H3,(H,25,27)/t16-,19+,21-/m0/s1
  • InChiKey: GNCRQPJVMBUCMO-SCWSEQNSSA-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
Plasmodium knowlesi 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
Neospora caninum GNS1/SUR4 family domain-containing protein, 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
Trypanosoma cruzi fatty acid elongase, 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
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
Cryptosporidium hominis fatty-acyl elongase 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
Trypanosoma brucei gambiense 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
Leishmania braziliensis fatty acid elongase, putative 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 mexicana 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
Trypanosoma brucei Fatty acid elongase 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
Trypanosoma cruzi 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
Trypanosoma cruzi 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
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 donovani fatty acid elongase, 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
Leishmania infantum 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
Plasmodium falciparum long chain fatty acid elongation enzyme, 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 mexicana fatty acid elongase, 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
Loa Loa (eye worm) GNS1/SUR4 family protein 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
Leishmania infantum 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
Leishmania braziliensis 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
Brugia malayi GNS1/SUR4 family protein 0.005 0.33 0.33
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.0689 0.1884
Toxoplasma gondii GNS1/SUR4 family protein 0.005 0.33 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0083 0.0083
Echinococcus multilocularis elongation of very long chain fatty acids 0.001 0.0083 0.1205
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0689 1
Echinococcus multilocularis elongation of very long chain fatty acids 0.001 0.0083 0.1205
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0689 1
Schistosoma mansoni elongation of fatty acids protein 1 0.001 0.0083 0.1205
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0.0689 0.1884
Schistosoma mansoni fatty acid acyl transferase-related 0.001 0.0083 0.1205
Trypanosoma cruzi fatty acid elongase, putative 0.005 0.33 1
Leishmania major fatty acid elongase, putative 0.005 0.33 1
Loa Loa (eye worm) GNS1/SUR4 family protein 0.001 0.0083 0.0083
Loa Loa (eye worm) fatty acid elongation protein 3 0.005 0.33 0.33
Brugia malayi fatty acid elongation protein 3 0.001 0.0083 0.0083
Schistosoma mansoni elongation of fatty acids protein 1 0.001 0.0083 0.1205
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0689 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0689 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0689 1
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0689 0.1884
Trypanosoma cruzi fatty acid elongase, putative 0.005 0.33 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0689 0.1884
Plasmodium falciparum long chain fatty acid elongation enzyme, putative 0.005 0.33 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0689 0.1884
Brugia malayi fatty acid elongation protein 3 0.001 0.0083 0.0083
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0018 0.0689 0.1884
Loa Loa (eye worm) fatty acid elongation protein 3 0.001 0.0083 0.0083
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0689 0.1884
Onchocerca volvulus 0.001 0.0083 0.5
Onchocerca volvulus 0.001 0.0083 0.5
Echinococcus granulosus elongation of very long chain fatty acids 0.001 0.0083 0.1205
Schistosoma mansoni elongation of fatty acids protein 1 0.001 0.0083 0.1205
Loa Loa (eye worm) fatty acid elongation protein 3 0.001 0.0083 0.0083
Toxoplasma gondii integral membrane protein, GNS1/SUR4 family protein, putative 0.005 0.33 1
Brugia malayi Hypothetical 34.1 kDa protein C40H1.4 in chromosome III 0.001 0.0083 0.0083
Loa Loa (eye worm) fatty acid elongation protein 3 0.001 0.0083 0.0083
Leishmania major fatty acid elongase, putative 0.005 0.33 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0.0689 0.5
Loa Loa (eye worm) ELO-9 protein 0.001 0.0083 0.0083
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0.0689 0.1884
Plasmodium vivax GNS1/SUR4 domain containing protein 0.005 0.33 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0689 1
Leishmania major fatty acid elongase, putative 0.005 0.33 1
Onchocerca volvulus Elongation of very long chain fatty acids protein 5 homolog 0.001 0.0083 0.5
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0689 0.0689
Plasmodium falciparum fatty acid elongation protein, GNS1/SUR4 family, putative 0.005 0.33 1
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0689 0.1884
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0689 0.0689
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0689 1
Brugia malayi GNS1/SUR4 family protein 0.001 0.0083 0.0083
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.001 0.0083 0.5
Brugia malayi fatty acid elongation protein 3 0.001 0.0083 0.0083
Trypanosoma cruzi fatty acid elongase, putative 0.005 0.33 1
Brugia malayi Fatty acid elongation protein 3 0.005 0.33 0.33
Loa Loa (eye worm) GNS1/SUR4 family protein 0.005 0.33 0.33
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.001 0.0083 0.5
Brugia malayi isocitrate dehydrogenase 0.0018 0.0689 0.0689
Brugia malayi fatty acid elongation protein 3 0.001 0.0083 0.0083
Schistosoma mansoni elongation of fatty acids protein 1 0.001 0.0083 0.1205
Trypanosoma brucei Fatty acid elongase 0.005 0.33 1
Echinococcus granulosus elongation of very long chain fatty acids 0.001 0.0083 0.1205
Trypanosoma cruzi fatty acid elongase, putative 0.005 0.33 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 130 nM Inhibition of C-terminal V5-epitope-tagged human ELOVL6 expressed in african green monkey COS7 cells ChEMBL. 19596583

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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