Detailed information for compound 1043996

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 424.751 | Formula: C20H20Cl3N3O
  • H donors: 3 H acceptors: 1 LogP: 5.98 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc(CNCCCNc2[nH]c3ccccc3c(=O)c2C)c(c(c1)Cl)Cl
  • InChi: 1S/C20H20Cl3N3O/c1-12-19(27)15-5-2-3-6-17(15)26-20(12)25-8-4-7-24-11-13-9-14(21)10-16(22)18(13)23/h2-3,5-6,9-10,24H,4,7-8,11H2,1H3,(H2,25,26,27)
  • InChiKey: WZNOXDUZPUWWJO-UHFFFAOYSA-N  


Substructure search Similarity search

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
Loa Loa (eye worm) hypothetical protein 0.0008 0.0796 0.0796
Schistosoma mansoni RAR-like nuclear receptor 0.0008 0.0796 0.0796
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0004 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0.0796 0.0796
Onchocerca volvulus 0.0044 1 1
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0008 0.0796 0.0796
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.0796 0.0796
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0008 0.0796 0.0796
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0008 0.0796 0.0796
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0044 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0008 0.0796 0.0796
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0008 0.0796 0.0796
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0004 0 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0008 0.0796 0.0796
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0008 0.0796 0.0796
Mycobacterium tuberculosis Probable oxidoreductase 0.0004 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0.0796 0.0796
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0044 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0008 0.0796 0.0796
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0008 0.0796 0.0796
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0004 0 0.5
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0004 0 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0008 0.0796 0.0796
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.0796 0.0796
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0008 0.0796 0.0796
Trichomonas vaginalis conserved hypothetical protein 0.0044 1 1
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0044 1 1
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0044 1 1
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0004 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0.0796 0.0796
Loa Loa (eye worm) steroid hormone receptor 0.0008 0.0796 0.0796
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 1
Schistosoma mansoni thyroid hormone receptor 0.0008 0.0796 0.0796
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.0796 0.0796
Mycobacterium tuberculosis Probable shortchain dehydrogenase 0.0004 0 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0008 0.0796 0.0796
Plasmodium vivax polyprenol reductase, putative 0.0044 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0008 0.0796 0.0796
Loa Loa (eye worm) hypothetical protein 0.0008 0.0796 0.0796
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0044 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.0796 0.0796
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0008 0.0796 0.0796
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0008 0.0796 0.0796
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0008 0.0796 0.0796
Schistosoma mansoni steroid hormone receptor ad4bp 0.0008 0.0796 0.0796
Mycobacterium tuberculosis Possible oxidoreductase 0.0004 0 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0004 0 0.5
Mycobacterium leprae Probable oxidoreductase 0.0004 0 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0008 0.0796 0.0796
Mycobacterium leprae ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE 0.0004 0 0.5
Mycobacterium tuberculosis Possible fatty acyl-CoA reductase 0.0004 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.0796 0.0796
Schistosoma mansoni retinoic acid receptor RXR 0.0008 0.0796 0.0796
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0044 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0008 0.0796 0.0796
Echinococcus multilocularis FTZ F1 alpha 0.0008 0.0796 0.0796
Mycobacterium tuberculosis Probable dehydrogenase 0.0004 0 0.5
Brugia malayi ecdysteroid receptor 0.0008 0.0796 0.0796
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0044 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.0796 0.0796
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0008 0.0796 0.0796
Mycobacterium tuberculosis Possible iron-regulated short-chain dehydrogenase/reductase 0.0004 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.0796 0.0796
Mycobacterium tuberculosis Decaprenylphosphoryl-D-2-keto erythro pentose reductase 0.0004 0 0.5
Mycobacterium leprae PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE 0.0004 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0008 0.0796 0.0796
Brugia malayi nuclear hormone receptor 0.0008 0.0796 0.0796
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0044 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0008 0.0796 0.0796
Plasmodium falciparum polyprenol reductase, putative 0.0044 1 1
Mycobacterium tuberculosis Probable short chain alcohol dehydrogenase/reductase 0.0004 0 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0004 0 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0008 0.0796 0.0796
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0008 0.0796 0.0796
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.0004 0 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0008 0.0796 0.0796
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0008 0.0796 0.0796
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0008 0.0796 0.0796
Loa Loa (eye worm) hypothetical protein 0.0044 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0008 0.0796 0.0796
Mycobacterium tuberculosis Probable oxidoreductase 0.0004 0 0.5
Giardia lamblia Synaptic glycoprotein SC2 0.0044 1 1
Mycobacterium ulcerans hypothetical protein 0.0044 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0008 0.0796 0.0796
Entamoeba histolytica hypothetical protein 0.0044 1 1
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0044 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0008 0.0796 0.0796
Echinococcus multilocularis thyroid hormone receptor alpha 0.0008 0.0796 0.0796
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 1 1
Mycobacterium tuberculosis Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 0.0004 0 0.5
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0004 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0008 0.0796 0.0796
Brugia malayi steroid hormone receptor 0.0008 0.0796 0.0796
Mycobacterium tuberculosis Probable oxidoreductase 0.0004 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0008 0.0796 0.0796
Mycobacterium tuberculosis Possible ketoacyl reductase 0.0004 0 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0004 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0.0796 0.0796
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0008 0.0796 0.0796
Mycobacterium tuberculosis Probable short-chain type oxidoreductase 0.0004 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0.0796 0.0796
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 1
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0044 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0008 0.0796 0.0796
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0796 0.0796
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0008 0.0796 0.0796
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0044 1 1
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0044 1 1
Schistosoma mansoni nuclear hormone receptor 0.0008 0.0796 0.0796
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0008 0.0796 0.0796
Mycobacterium tuberculosis Probable short-chain dehydrogenase/reductase 0.0004 0 0.5
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0044 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0004 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.0796 0.0796
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.0796 0.0796
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0008 0.0796 0.0796
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.0796 0.0796
Echinococcus granulosus synaptic glycoprotein sc2 0.0044 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0004 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0008 0.0796 0.0796
Brugia malayi nuclear receptor NHR-88 0.0008 0.0796 0.0796
Echinococcus multilocularis synaptic glycoprotein sc2 0.0044 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0004 0 0.5
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0004 0 0.5
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0004 0 0.5
Onchocerca volvulus 0.0008 0.0796 0.0796
Schistosoma mansoni coup transcription factor 0.0008 0.0796 0.0796
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0004 0 0.5
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0044 1 1
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0004 0 0.5
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0044 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0008 0.0796 0.0796
Echinococcus granulosus FTZ F1 alpha 0.0008 0.0796 0.0796
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0004 0 0.5

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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