Detailed information for compound 264782

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 330.785 | Formula: C18H17ClNO3-
  • H donors: 0 H acceptors: 1 LogP: 3.07 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1c(coc2c1cc1ccccc1c2)CN1CCOCC1.[Cl-]
  • InChi: 1S/C18H17NO3.ClH/c20-18-15(11-19-5-7-21-8-6-19)12-22-17-10-14-4-2-1-3-13(14)9-16(17)18;/h1-4,9-10,12H,5-8,11H2;1H/p-1
  • InChiKey: UAOFGLOMEYJHIV-UHFFFAOYSA-M  


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 0.0013 0.0015 0.0015
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0004 0.0004
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0082 0.0082
Trichomonas vaginalis ferritin, putative 0.0009 0.0006 0.0007
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0009 0.0009
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0082 0.0082
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0009 0.0009
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0014 0.0016 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0009 0.0009
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0009 0.0009
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0082 0.0082
Brugia malayi nuclear receptor NHR-88 0.001 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.0016 0.002 0.002
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0009 0.0009
Echinococcus multilocularis thymidylate synthase 0.5265 1 1
Echinococcus granulosus lamin 0.0029 0.0044 0.0044
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0009 0.0009
Echinococcus granulosus dnaJ subfamily B 0.0434 0.0815 0.0815
Echinococcus granulosus cpg binding protein 0.0032 0.0051 0.0051
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0009 0.0009
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0019 0.0019
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0082 0.0082
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.5265 1 0.5
Schistosoma mansoni hypothetical protein 0.01 0.0181 0.0181
Echinococcus multilocularis musashi 0.0029 0.0044 0.0044
Schistosoma mansoni thyroid hormone receptor 0.001 0.0009 0.0009
Echinococcus granulosus ferritin 0.0009 0.0006 0.0006
Echinococcus multilocularis dnaJ subfamily B 0.0434 0.0815 0.0815
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0009 0.0009
Trichomonas vaginalis conserved hypothetical protein 0.2505 0.4752 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0086 0.0086
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0007 0.0007
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0009 0.0009
Echinococcus granulosus expressed protein 0.0009 0.0006 0.0006
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0009 0.0009
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.002 0.002
Schistosoma mansoni ferritin 0.0009 0.0006 0.0006
Schistosoma mansoni cpg binding protein 0.003 0.0048 0.0048
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.002 0.002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0009 0.0009
Echinococcus granulosus microtubule associated protein 2 0.0705 0.133 0.133
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.0006 0.5
Echinococcus multilocularis lamin dm0 0.0029 0.0044 0.0044
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0082 0.0082
Schistosoma mansoni cpg binding protein 0.0032 0.0051 0.0051
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0029 0.0044 0.0044
Echinococcus granulosus intermediate filament protein 0.0029 0.0044 0.0044
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.001 0.0009 0.0009
Schistosoma mansoni ferritin 0.0009 0.0006 0.0006
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0086 0.0086
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0009 0.0009
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.5265 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0043 0.0043
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0113 0.0113
Schistosoma mansoni ferritin light chain 0.0009 0.0006 0.0006
Brugia malayi hypothetical protein 0.0492 0.0926 0.0926
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0009 0.0009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0082 0.0082
Echinococcus multilocularis lamin 0.0029 0.0044 0.0044
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0004 0.0004
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.5265 1 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0004 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0009 0.0009
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0009 0.0009
Mycobacterium ulcerans thymidylate synthase 0.5265 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.002 0.002
Echinococcus multilocularis GPCR, family 2 0.0016 0.002 0.002
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0009 0.0009
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.5265 1 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.0009 0.0009
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0009 0.0009
Echinococcus multilocularis cpg binding protein 0.0032 0.0051 0.0051
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0009 0.0009
Schistosoma mansoni apoferritin-2 0.0009 0.0006 0.0006
Brugia malayi CXXC zinc finger family protein 0.003 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.001 0.0009 0.0009
Onchocerca volvulus 0.0029 0.0044 0.0035
Loa Loa (eye worm) hypothetical protein 0.001 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0492 0.0926 0.0926
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0004 0.0004
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0016 0.0016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0009 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0009 0.0009
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.01 0.0181 0.0181
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0016 0.002 0.002
Schistosoma mansoni lamin 0.0029 0.0044 0.0044
Schistosoma mansoni hypothetical protein 0.0035 0.0056 0.0056
Schistosoma mansoni hypothetical protein 0.0016 0.002 0.002
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0009 0.0009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0082 0.0082
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0009 0.0009
Echinococcus multilocularis microtubule associated protein 2 0.0705 0.133 0.133
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0009 0.0009
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0044 0.0044
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0009 0.0009
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0009 0.0009
Onchocerca volvulus 0.0029 0.0044 0.0035
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0009 0.0009
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.002 0.002
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0009 0.0009
Brugia malayi hypothetical protein 0.2505 0.4752 0.4752
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.5265 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0082 0.0082
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0013 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.001 0.0009 0.0009
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.5265 1 1
Onchocerca volvulus 0.003 0.0048 0.0038
Brugia malayi steroid hormone receptor 0.001 0.0009 0.0009
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0009 0.0009
Schistosoma mansoni apoferritin-2 0.0009 0.0006 0.0006
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.5265 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.001 0.0009 0.0009
Echinococcus multilocularis expressed protein 0.0009 0.0006 0.0006
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0009 0.0009
Schistosoma mansoni ferritin light chain 0.0009 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.001 0.0009 0.0009
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0009 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0009 0.0009
Echinococcus multilocularis survival motor neuron protein 1 0.0492 0.0926 0.0926
Echinococcus granulosus survival motor neuron protein 1 0.0492 0.0926 0.0926
Schistosoma mansoni ferritin 0.0009 0.0006 0.0006
Brugia malayi Latrophilin receptor protein 2 0.0016 0.002 0.002
Brugia malayi nuclear hormone receptor 0.001 0.0009 0.0009
Onchocerca volvulus 0.5265 1 1
Schistosoma mansoni lamin 0.0029 0.0044 0.0044
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0009 0.0009
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0016 0.0016
Schistosoma mansoni hypothetical protein 0.0434 0.0815 0.0815
Schistosoma mansoni survival motor neuron protein 0.01 0.0181 0.0181
Loa Loa (eye worm) hypothetical protein 0.001 0.0009 0.0009
Leishmania major dihydrofolate reductase-thymidylate synthase 0.5265 1 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0082 0.0082
Brugia malayi ecdysteroid receptor 0.001 0.0009 0.0009
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0048 0.0048
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0008 0.0008
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0009 0.0009
Brugia malayi intermediate filament protein 0.0029 0.0044 0.0044
Mycobacterium tuberculosis Hypothetical protein 0.2505 0.4752 0.4749
Echinococcus granulosus thymidylate synthase 0.5265 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0044 0.0044
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0056 0.0056
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0009 0.0009
Echinococcus granulosus FTZ F1 alpha 0.001 0.0009 0.0009
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0086 0.0086
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0009 0.0009
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0009 0.0009
Schistosoma mansoni intermediate filament proteins 0.0029 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.001 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.0016 0.002 0.002
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.002 0.002
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0009 0.0009
Echinococcus granulosus lamin dm0 0.0029 0.0044 0.0044
Echinococcus granulosus GPCR family 2 0.0016 0.002 0.002
Schistosoma mansoni ferritin 0.0009 0.0006 0.0006
Schistosoma mansoni microtubule-associated protein tau 0.0705 0.133 0.133
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0009 0.0009
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0009 0.0009
Schistosoma mansoni nuclear hormone receptor 0.001 0.0009 0.0009
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0009 0.0009
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0009 0.0009
Onchocerca volvulus 0.01 0.0181 0.0171
Echinococcus multilocularis ferritin 0.0009 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0051 0.0086 0.0086
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0044 0.0044
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0009 0.0009
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.002 0.002
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.0006 0.5
Schistosoma mansoni coup transcription factor 0.001 0.0009 0.0009
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0035 0.0056 0.0056
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0009 0.0009
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0009 0.0009
Loa Loa (eye worm) thymidylate synthase 0.5265 1 1
Schistosoma mansoni hypothetical protein 0.0016 0.002 0.002
Schistosoma mansoni cpg binding protein 0.0032 0.0051 0.0051
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0009 0.0009
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0008 0.0008
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.5265 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0008 0.0008

Activities

Activity type Activity value Assay description Source Reference
Log IC50 (binding) < 3 In vitro inhibition of Janus kinase 3. ChEMBL. 10741557

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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