Detailed information for compound 37476

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 325.187 | Formula: C16H14Cl2O3
  • H donors: 1 H acceptors: 2 LogP: 4.9 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)Cc1cc(C)ccc1Oc1c(C)cc(cc1Cl)Cl
  • InChi: 1S/C16H14Cl2O3/c1-9-3-4-14(11(5-9)7-15(19)20)21-16-10(2)6-12(17)8-13(16)18/h3-6,8H,7H2,1-2H3,(H,19,20)
  • InChiKey: IBDFLWAGSHOMPI-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
Schistosoma mansoni nuclear hormone receptor 0.0046 0.0456 0.0623
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0046 0.0456 0.0569
Schistosoma mansoni tar DNA-binding protein 0.0063 0.087 0.1202
Loa Loa (eye worm) TAR-binding protein 0.0063 0.087 0.087
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0046 0.0456 0.0456
Schistosoma mansoni thyroid hormone receptor 0.017 0.3361 0.4691
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0046 0.0456 0.0569
Schistosoma mansoni hypothetical protein 0.0332 0.7152 1
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.171 0.2931
Onchocerca volvulus Protein ultraspiracle homolog 0.0046 0.0456 0.0905
Plasmodium vivax SET domain protein, putative 0.003 0.0087 0.5
Onchocerca volvulus 0.0053 0.0624 0.1247
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0099 0.171 0.171
Loa Loa (eye worm) hypothetical protein 0.0046 0.0456 0.0456
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0011 0.0011
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0046 0.0456 0.0623
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0087 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0456 0.0456
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0046 0.0456 0.0569
Loa Loa (eye worm) steroid hormone receptor 0.0046 0.0456 0.0456
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0046 0.0456 0.0445
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0087 0.0105
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0124 0.2294 0.2921
Loa Loa (eye worm) hypothetical protein 0.0046 0.0456 0.0456
Loa Loa (eye worm) hypothetical protein 0.0053 0.0624 0.0624
Brugia malayi Steroid receptor seven-up type 2 0.0046 0.0456 0.0445
Loa Loa (eye worm) hypothetical protein 0.0034 0.0185 0.0185
Echinococcus multilocularis protein dispatched 1 0.0048 0.0516 0.0646
Schistosoma mansoni hypothetical protein 0.0124 0.2294 0.3197
Brugia malayi Pre-SET motif family protein 0.0208 0.4253 0.4247
Schistosoma mansoni tar DNA-binding protein 0.0063 0.087 0.1202
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0554 0.0543
Brugia malayi Pre-SET motif family protein 0.003 0.0087 0.0075
Loa Loa (eye worm) hypothetical protein 0.0046 0.0456 0.0456
Trypanosoma brucei polo-like protein kinase 0.0099 0.171 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0046 0.0456 0.0569
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0538 0.0355
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0046 0.0456 0.0905
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0099 0.171 0.2173
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.171 0.2931
Brugia malayi nuclear hormone receptor 0.0046 0.0456 0.0445
Echinococcus multilocularis thyroid hormone receptor alpha 0.017 0.3361 0.4287
Schistosoma mansoni hypothetical protein 0.0041 0.0341 0.0461
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0099 0.171 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.087 0.1202
Loa Loa (eye worm) hypothetical protein 0.0027 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.0041 0.0341 0.0461
Loa Loa (eye worm) hypothetical protein 0.003 0.0087 0.0087
Onchocerca volvulus Bile acid receptor homolog 0.0046 0.0456 0.0905
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0046 0.0456 0.0445
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0376 0.0467
Entamoeba histolytica serine/threonine protein kinase, putative 0.0099 0.171 1
Schistosoma mansoni retinoic acid receptor RXR 0.0046 0.0456 0.0623
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.171 0.2931
Brugia malayi steroid hormone receptor 0.0046 0.0456 0.0445
Loa Loa (eye worm) hypothetical protein 0.0042 0.0376 0.0376
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0046 0.0456 0.0569
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0046 0.0456 0.0569
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0624 0.0858
Echinococcus granulosus tumor protein p63 0.0361 0.7827 1
Onchocerca volvulus 0.0046 0.0456 0.0905
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.087 0.0859
Echinococcus multilocularis tumor protein p63 0.0361 0.7827 1
Echinococcus granulosus FTZ F1 alpha 0.0046 0.0456 0.0569
Schistosoma mansoni RAR-like nuclear receptor 0.0046 0.0456 0.0623
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0046 0.0456 0.0456
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0454 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0046 0.0456 0.0569
Brugia malayi ecdysteroid receptor 0.0046 0.0456 0.0445
Schistosoma mansoni niemann-pick C1 (NPC1) 0.01 0.1726 0.2401
Brugia malayi photoreceptor-specific nuclear receptor 0.0046 0.0456 0.0445
Schistosoma mansoni patched 1 0.0042 0.0376 0.0511
Schistosoma mansoni tar DNA-binding protein 0.0063 0.087 0.1202
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0046 0.0456 0.0623
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0046 0.0456 0.0456
Loa Loa (eye worm) hypothetical protein 0.0052 0.0599 0.0599
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0087 0.0096
Brugia malayi Nuclear hormone receptor-like 1 0.0046 0.0456 0.0445
Echinococcus granulosus Niemann Pick C1 protein 0.0141 0.2678 0.3411
Trichomonas vaginalis set domain proteins, putative 0.0237 0.4925 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0456 0.0456
Echinococcus multilocularis Niemann Pick C1 protein 0.0099 0.169 0.2148
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0046 0.0456 0.0445
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.087 0.087
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0554 0.0543
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0046 0.0456 0.0445
Echinococcus granulosus Niemann Pick C1 protein 0.0099 0.169 0.2148
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0046 0.0456 0.0445
Schistosoma mansoni hypothetical protein 0.0034 0.0185 0.0244
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0554 0.0554
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0046 0.0456 0.0445
Brugia malayi nuclear receptor NHR-88 0.0046 0.0456 0.0445
Schistosoma mansoni coup transcription factor 0.0046 0.0456 0.0623
Giardia lamblia Kinase, PLK 0.0099 0.171 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0046 0.0456 0.0623
Schistosoma mansoni tar DNA-binding protein 0.0063 0.087 0.1202
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.171 0.2931
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0046 0.0456 0.0456
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0046 0.0456 0.0623
Schistosoma mansoni thyroid hormone receptor 0.017 0.3361 0.4691
Echinococcus multilocularis protein patched 0.0042 0.0376 0.0467
Brugia malayi TAR-binding protein 0.0063 0.087 0.0859
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0046 0.0456 0.0569
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0376 0.0467
Brugia malayi serine/threonine-protein kinase plk-2 0.0099 0.171 0.17
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0046 0.0456 0.0445
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0046 0.0456 0.0623
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.171 0.2931
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.171 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0046 0.0456 0.0456
Onchocerca volvulus 0.0237 0.4925 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0087 0.0105
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0185 0.0174
Echinococcus granulosus geminin 0.0332 0.7152 0.9137
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0087 0.0096
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0046 0.0456 0.0445
Loa Loa (eye worm) hypothetical protein 0.0046 0.0456 0.0456
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0538 0.0355
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0087 0.0105
Echinococcus granulosus expressed conserved protein 0.0093 0.1551 0.1969
Echinococcus granulosus tar DNA binding protein 0.0063 0.087 0.1098
Schistosoma mansoni hypothetical protein 0.0041 0.0341 0.0461
Brugia malayi RNA binding protein 0.0063 0.087 0.0859
Schistosoma mansoni kinase 0.005 0.0568 0.078
Onchocerca volvulus 0.003 0.0087 0.0153
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0046 0.0456 0.0569
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0046 0.0456 0.0445
Schistosoma mansoni hypothetical protein 0.0041 0.0341 0.0461
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.4253 0.4253
Onchocerca volvulus Serine\/threonine kinase homolog 0.0099 0.171 0.3456
Echinococcus multilocularis Niemann Pick C1 protein 0.0141 0.2678 0.3411
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0046 0.0456 0.0569
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0376 0.0376
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0087 0.0096
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0099 0.171 0.2173
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0046 0.0456 0.0456
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0046 0.0456 0.0623
Loa Loa (eye worm) hypothetical protein 0.0046 0.0456 0.0456
Loa Loa (eye worm) RNA binding protein 0.0063 0.087 0.087
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0046 0.0456 0.0569
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0124 0.2294 0.2921
Echinococcus multilocularis ecdysone induced protein 78C 0.0046 0.0456 0.0569
Loa Loa (eye worm) hypothetical protein 0.005 0.0554 0.0554
Loa Loa (eye worm) hypothetical protein 0.0099 0.169 0.169
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.171 0.2931
Loa Loa (eye worm) hypothetical protein 0.0046 0.0456 0.0456
Echinococcus multilocularis geminin 0.0332 0.7152 0.9137
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0046 0.0456 0.0445
Echinococcus multilocularis tar DNA binding protein 0.0063 0.087 0.1098
Brugia malayi Niemann-Pick C1 protein precursor 0.0099 0.169 0.1681
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.171 0.2378
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0011 0.0011
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0046 0.0456 0.0445
Schistosoma mansoni steroid hormone receptor ad4bp 0.0046 0.0456 0.0623
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0087 0.0105
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0046 0.0456 0.0445
Brugia malayi CHE-14 protein 0.0042 0.0376 0.0365
Schistosoma mansoni hypothetical protein 0.0332 0.7152 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0046 0.0456 0.0569
Echinococcus multilocularis expressed conserved protein 0.0093 0.1551 0.1969
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0061 0.0064
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.171 0.2931
Echinococcus granulosus ecdysone induced protein 78C 0.0046 0.0456 0.0569
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0046 0.0456 0.0445
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0046 0.0456 0.0569
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0376 0.0467
Echinococcus multilocularis FTZ F1 alpha 0.0046 0.0456 0.0569
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.171 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0046 0.0456 0.0456

Activities

Activity type Activity value Assay description Source Reference
Reduction (functional) = 23 Reduction in paw swelling at 100 mg/kg po dose in rat using adjuvant arthritis test. ChEMBL. 6620297
Relative potency (functional) = 0.3 Potency relative to [2-(2,4-Dichloro-phenoxy)-phenyl]-acetic acid in rat adjuvant arthritis test ChEMBL. 6620297

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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