Detailed information for compound 1068733

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 445.231 | Formula: C20H11Cl2FN4O3
  • H donors: 1 H acceptors: 3 LogP: 4.73 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cc(cc(c1)Cl)Oc1cc(OCc2noc3c2ccc(n3)N)cc(c1Cl)F
  • InChi: 1S/C20H11Cl2FN4O3/c21-11-3-10(8-24)4-13(5-11)29-17-7-12(6-15(23)19(17)22)28-9-16-14-1-2-18(25)26-20(14)30-27-16/h1-7H,9H2,(H2,25,26)
  • InChiKey: NOEHJVLDRAYFOQ-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
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0024 0.0024
Schistosoma mansoni apoferritin-2 0.0009 0.0016 0.0025
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.1476 0.6522 0.6522
Schistosoma mansoni synaptic glycoprotein sc2 related 0.1476 0.6522 1
Echinococcus multilocularis synaptic glycoprotein sc2 0.1476 0.6522 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0049 0.0075
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0007 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0007 0.0007
Echinococcus granulosus synaptic glycoprotein sc2 0.1476 0.6522 1
Schistosoma mansoni coup transcription factor 0.001 0.0024 0.0036
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.1476 0.6522 0.6522
Brugia malayi nuclear receptor NHR-88 0.001 0.0024 0.0024
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0016 0.0049 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0024 0.0024
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0223 0.0223
Loa Loa (eye worm) hypothetical protein 0.1476 0.6522 0.6522
Schistosoma mansoni cpg binding protein 0.0031 0.0115 0.0176
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0024 0.0024
Trichomonas vaginalis conserved hypothetical protein 0.1476 0.6522 0.6522
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0024
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0253 0.0387
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.1476 0.6522 0.6522
Schistosoma mansoni cpg binding protein 0.0031 0.0115 0.0176
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0049 0.0075
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.001 0.0016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0024 0.0024
Schistosoma mansoni hypothetical protein 0.0416 0.1822 0.2793
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0007 0.0007
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0024 0.0036
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0024 0.0036
Onchocerca volvulus 0.0029 0.0108 0.0165
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.1476 0.6522 1
Schistosoma mansoni ferritin light chain 0.0009 0.0016 0.0025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0024 0.0024
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0007 0.0007
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.1476 0.6522 0.6522
Brugia malayi ecdysteroid receptor 0.001 0.0024 0.0024
Schistosoma mansoni microtubule-associated protein tau 0.0701 0.3089 0.4736
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.1476 0.6522 0.6522
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0024 0.0036
Loa Loa (eye worm) hypothetical protein 0.0005 0.0002 0.0002
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0007 0.0007
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0007 0.0007
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0108 0.0108
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.1476 0.6522 0.6522
Loa Loa (eye worm) hypothetical protein 0.0005 0.0002 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0024 0.0024
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0024 0.0024
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0007 0.0007
Brugia malayi hypothetical protein 0.0005 0.0002 0.0002
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0018 0.0028
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0007 0.0007
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0018 0.0018
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0024 0.0036
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0024 0.0024
Schistosoma mansoni synaptic glycoprotein sc2 related 0.1476 0.6522 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0049 0.0049
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0049 0.0075
Echinococcus granulosus GPCR family 2 0.0016 0.0049 0.0075
Echinococcus granulosus FTZ F1 alpha 0.001 0.0024 0.0036
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0024 0.0036
Echinococcus multilocularis cpg binding protein 0.0031 0.0115 0.0176
Giardia lamblia Synaptic glycoprotein SC2 0.1476 0.6522 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0024 0.0024
Echinococcus multilocularis expressed protein 0.0009 0.0016 0.0025
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.1476 0.6522 0.6522
Echinococcus granulosus cpg binding protein 0.0031 0.0115 0.0176
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0007 0.0007
Schistosoma mansoni hypothetical protein 0.0016 0.0049 0.0075
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0024 0.0024
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0203 0.0203
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0.0016 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0132 0.0132
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.1476 0.6522 0.5
Onchocerca volvulus 0.1476 0.6522 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0049 0.0049
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.1476 0.6522 0.6522
Schistosoma mansoni ferritin 0.0009 0.0016 0.0025
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.001 0.0016
Echinococcus multilocularis dnaJ subfamily B 0.0416 0.1822 0.2793
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0024 0.0036
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0024 0.0024
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0024 0.0024
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0024 0.0036
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0002 0.0003
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0002 0.0003
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0024 0.0036
Schistosoma mansoni hypothetical protein 0.0035 0.0132 0.0202
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0024 0.0036
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0024 0.0036
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0024 0.0036
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0009 0.0016 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0024 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.0175 0.0756 0.0756
Brugia malayi nuclear hormone receptor 0.001 0.0024 0.0024
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0024 0.0024
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0007 0.0007
Onchocerca volvulus 0.001 0.0024 0.0036
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0009 0.0016 0.5
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0049 0.0049
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0024 0.0036
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0002 0.0002
Echinococcus granulosus dnaJ subfamily B 0.0416 0.1822 0.2793
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0007 0.0007
Brugia malayi Synaptic glycoprotein SC2 0.1476 0.6522 0.6522
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0024 0.0036
Schistosoma mansoni cpg binding protein 0.0029 0.0108 0.0165
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0024 0.0024
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.001 0.0016
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.001 0.0016
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0203 0.0203
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0024 0.0036
Schistosoma mansoni thyroid hormone receptor 0.001 0.0024 0.0036
Echinococcus multilocularis ferritin 0.0009 0.0016 0.0025
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0024
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0024 0.0036
Schistosoma mansoni nuclear hormone receptor 0.001 0.0024 0.0036
Schistosoma mansoni ferritin 0.0009 0.0016 0.0025
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0005 0.0002 0.0002
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0024 0.0036
Loa Loa (eye worm) hypothetical protein 0.0051 0.0203 0.0203
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0024 0.0036
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0024
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.0016 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0007 0.0007
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0024 0.0036
Echinococcus granulosus expressed protein 0.0009 0.0016 0.0025
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0007 0.0007
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0049 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0024 0.0024
Plasmodium falciparum polyprenol reductase, putative 0.1476 0.6522 0.5
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.1476 0.6522 0.6522
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0024 0.0024
Brugia malayi CXXC zinc finger family protein 0.0029 0.0108 0.0108
Echinococcus multilocularis GPCR, family 2 0.0016 0.0049 0.0075
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0024 0.0036
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0024
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.018 0.0778 0.0778
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.0016 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0024 0.0024
Schistosoma mansoni ferritin 0.0009 0.0016 0.0025
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0024 0.0036
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0024 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0035 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.0005 0.0002 0.0002
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.001 0.0016
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.1476 0.6522 1
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0024 0.0024
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0024 0.0036
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.1476 0.6522 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0024 0.0024
Trichomonas vaginalis ferritin, putative 0.0009 0.0016 0.0016
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0024 0.0036
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0024 0.0036
Brugia malayi hypothetical protein 0.0005 0.0002 0.0002
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0002 0.0003
Schistosoma mansoni hypothetical protein 0.0016 0.0049 0.0075
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0024 0.0024
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0024 0.0036
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0018 0.0028
Echinococcus granulosus microtubule associated protein 2 0.0701 0.3089 0.4736
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0007 0.0007
Schistosoma mansoni ferritin light chain 0.0009 0.0016 0.0025
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0203 0.0203
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0024 0.0036
Schistosoma mansoni apoferritin-2 0.0009 0.0016 0.0025
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0024 0.0036
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0007 0.0007
Schistosoma mansoni ferritin 0.0009 0.0016 0.0025
Schistosoma mansoni thyroid hormone receptor 0.001 0.0024 0.0036
Loa Loa (eye worm) hypothetical protein 0.0005 0.0002 0.0002
Echinococcus granulosus ferritin 0.0009 0.0016 0.0025
Trichomonas vaginalis helicase, putative 0.0007 0.0007 0.0007
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0002 0.0003
Schistosoma mansoni hypothetical protein 0.0016 0.0049 0.0075
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0024 0.0036
Echinococcus multilocularis microtubule associated protein 2 0.0701 0.3089 0.4736
Trichomonas vaginalis conserved hypothetical protein 0.1476 0.6522 0.6522
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0024 0.0024
Brugia malayi steroid hormone receptor 0.001 0.0024 0.0024
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0024 0.0024
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.018 0.0778 0.0778
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0049 0.0049
Brugia malayi nuclear receptor RXR 0.0005 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0024
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0007 0.0007
Plasmodium vivax polyprenol reductase, putative 0.1476 0.6522 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0024

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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