Detailed information for compound 1941273

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 253.726 | Formula: C16H12ClN
  • H donors: 1 H acceptors: 0 LogP: 5.34 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)Nc1cccc2c1cccc2
  • InChi: 1S/C16H12ClN/c17-13-7-4-8-14(11-13)18-16-10-3-6-12-5-1-2-9-15(12)16/h1-11,18H
  • InChiKey: QEYYTVWDRYNDJO-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 fatty acid desaturase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani fatty acid desaturase, putative Get druggable targets OG5_128446 All targets in OG5_128446
Leishmania mexicana fatty acid desaturase, putative Get druggable targets OG5_128446 All targets in OG5_128446
Onchocerca volvulus Get druggable targets OG5_128446 All targets in OG5_128446
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128446 All targets in OG5_128446
Schistosoma japonicum ko:K10226 fatty acid desaturase 2, putative Get druggable targets OG5_128446 All targets in OG5_128446
Leishmania major delta-5 fatty acid desaturase Get druggable targets OG5_128446 All targets in OG5_128446
Schistosoma mansoni fatty acid desaturase Get druggable targets OG5_128446 All targets in OG5_128446
Brugia malayi Delta5 fatty acid desaturase Get druggable targets OG5_128446 All targets in OG5_128446
Candida albicans similar to Mucor rouxii delta(6)-desaturase which converts linoleic acid to Gamma-linolenic acid Get druggable targets OG5_128446 All targets in OG5_128446
Candida albicans similar to Mucor rouxii delta(6)-desaturase which converts linoleic acid to Gamma-linolenic acid Get druggable targets OG5_128446 All targets in OG5_128446
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128446 All targets in OG5_128446
Loa Loa (eye worm) FAT-3 protein Get druggable targets OG5_128446 All targets in OG5_128446
Leishmania infantum delta-5 fatty acid desaturase, putative Get druggable targets OG5_128446 All targets in OG5_128446
Leishmania braziliensis delta-5 fatty acid desaturase, putative Get druggable targets OG5_128446 All targets in OG5_128446

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
Onchocerca volvulus 0.0148 0.2503 0.1932
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0148 0.2503 0.2503
Echinococcus multilocularis FTZ F1 alpha 0.0148 0.2503 0.2503
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0148 0.2503 0.2503
Schistosoma mansoni fatty acid desaturase 0.012 0.1513 0.6043
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0148 0.2503 0.2503
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0148 0.2503 0.2503
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0148 0.2503 0.2503
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0148 0.2503 0.2503
Brugia malayi Steroid receptor seven-up type 2 0.0148 0.2503 0.2503
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0148 0.2503 0.2503
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0148 0.2503 0.2503
Onchocerca volvulus 0.012 0.1513 0.0866
Loa Loa (eye worm) hypothetical protein 0.0148 0.2503 0.2503
Brugia malayi nuclear hormone receptor 0.0148 0.2503 0.2503
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0148 0.2503 0.2503
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0148 0.2503 0.2503
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0148 0.2503 1
Echinococcus granulosus FTZ F1 alpha 0.0148 0.2503 0.2503
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0148 0.2503 0.2503
Schistosoma mansoni inhibitor of apoptosis protein 0.0098 0.0708 0.283
Echinococcus multilocularis ecdysone induced protein 78C 0.0148 0.2503 0.2503
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0148 0.2503 0.2503
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0148 0.2503 0.2503
Loa Loa (eye worm) hypothetical protein 0.0148 0.2503 0.2503
Brugia malayi steroid hormone receptor 0.0148 0.2503 0.2503
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0148 0.2503 0.2503
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0148 0.2503 0.2503
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0148 0.2503 0.2503
Echinococcus granulosus inhibitor of apoptosis protein 0.0098 0.0708 0.0708
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0148 0.2503 0.2503
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0148 0.2503 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0148 0.2503 0.2503
Schistosoma mansoni RAR-like nuclear receptor 0.0148 0.2503 1
Schistosoma mansoni hypothetical protein 0.0098 0.0708 0.283
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0098 0.0708 0.0708
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0148 0.2503 0.2503
Onchocerca volvulus Bile acid receptor homolog 0.0148 0.2503 0.1932
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0148 0.2503 0.1932
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0098 0.0708 0.283
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0148 0.2503 0.2503
Echinococcus granulosus ecdysone induced protein 78C 0.0148 0.2503 0.2503
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0148 0.2503 0.2503
Loa Loa (eye worm) hypothetical protein 0.0148 0.2503 0.2503
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0148 0.2503 1
Schistosoma mansoni thyroid hormone receptor 0.0148 0.2503 1
Brugia malayi ecdysteroid receptor 0.0148 0.2503 0.2503
Schistosoma mansoni retinoic acid receptor RXR 0.0148 0.2503 1
Loa Loa (eye worm) hypothetical protein 0.012 0.1499 0.1499
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0148 0.2503 1
Loa Loa (eye worm) steroid hormone receptor 0.0148 0.2503 0.2503
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0148 0.2503 0.2503
Loa Loa (eye worm) hypothetical protein 0.0098 0.0708 0.0708
Leishmania major delta-5 fatty acid desaturase 0.012 0.1499 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0148 0.2503 0.2503
Schistosoma mansoni steroid hormone receptor ad4bp 0.0148 0.2503 1
Schistosoma mansoni nuclear hormone receptor 0.0148 0.2503 1
Brugia malayi Nuclear hormone receptor-like 1 0.0148 0.2503 0.2503
Echinococcus multilocularis thyroid hormone receptor alpha 0.0148 0.2503 0.2503
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0148 0.2503 0.2503
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0148 0.2503 0.2503
Loa Loa (eye worm) hypothetical protein 0.0148 0.2503 0.2503
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0148 0.2503 0.2503
Loa Loa (eye worm) hypothetical protein 0.0148 0.2503 0.2503
Loa Loa (eye worm) hypothetical protein 0.0148 0.2503 0.2503
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0148 0.2503 0.2503
Brugia malayi nuclear receptor NHR-88 0.0148 0.2503 0.2503
Schistosoma mansoni thyroid hormone receptor 0.0148 0.2503 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0148 0.2503 1
Brugia malayi Delta5 fatty acid desaturase 0.012 0.1499 0.1499
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0148 0.2503 0.2503
Schistosoma mansoni coup transcription factor 0.0148 0.2503 1
Loa Loa (eye worm) FAT-3 protein 0.012 0.1499 0.1499
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0148 0.2503 0.2503
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0148 0.2503 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0148 0.2503 0.2503
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0148 0.2503 0.2503
Loa Loa (eye worm) hypothetical protein 0.0108 0.1069 0.1069
Loa Loa (eye worm) hypothetical protein 0.0148 0.2503 0.2503
Onchocerca volvulus Protein ultraspiracle homolog 0.0148 0.2503 0.1932
Echinococcus multilocularis inhibitor of apoptosis protein 0.0098 0.0708 0.0708
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0148 0.2503 0.2503
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0148 0.2503 0.2503
Loa Loa (eye worm) hypothetical protein 0.0148 0.2503 0.2503
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0148 0.2503 0.2503

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 17 nM Inhibition of liver delta-5 desaturase (unknown origin) ChEMBL. 26235947

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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