Detailed information for compound 232631

Basic information

Technical information
  • TDR Targets ID: 232631
  • Name: N-(3,5-dichlorophenyl)-2-methoxy-4-(trifluoro methyl)pyrimidine-5-carboxamide
  • MW: 366.123 | Formula: C13H8Cl2F3N3O2
  • H donors: 1 H acceptors: 3 LogP: 3.52 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ncc(c(n1)C(F)(F)F)C(=O)Nc1cc(Cl)cc(c1)Cl
  • InChi: 1S/C13H8Cl2F3N3O2/c1-23-12-19-5-9(10(21-12)13(16,17)18)11(22)20-8-3-6(14)2-7(15)4-8/h2-5H,1H3,(H,20,22)
  • InChiKey: JNGKQOOMIKGFKT-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(3,5-dichlorophenyl)-2-methoxy-4-(trifluoromethyl)-5-pyrimidinecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens activating transcription factor 1 Starlite/ChEMBL References
Homo sapiens nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 Starlite/ChEMBL References

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 thyroid hormone receptor 0.0039 0.027 0.1688
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0039 0.027 0.0314
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0036 0.0181
Brugia malayi nuclear hormone receptor 0.0039 0.027 0.0314
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.001
Brugia malayi cyclic AMP-response element binding protein 1 gamma 1, putative 0.0264 0.3163 0.3796
Loa Loa (eye worm) DR-78 0.0018 0.0008 0.001
Brugia malayi ecdysteroid receptor 0.0039 0.027 0.0314
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0039 0.027 0.0324
Brugia malayi Nuclear hormone receptor-like 1 0.0039 0.027 0.0314
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0039 0.027 0.0314
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0039 0.027 0.0314
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0008 0.0054
Loa Loa (eye worm) nuclear hormone receptor 0.0018 0.0008 0.001
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0039 0.027 0.0314
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.002 0.0036 0.0181
Brugia malayi Steroid receptor seven-up type 2 0.0039 0.027 0.0314
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0039 0.027 0.1688
Brugia malayi nuclear receptor RXR 0.002 0.0036 0.0034
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0665 0.832 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0039 0.027 0.0324
Schistosoma mansoni steroid hormone receptor ad4bp 0.0039 0.027 0.1688
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0039 0.027 0.0314
Schistosoma mansoni coup transcription factor 0.0039 0.027 0.1688
Brugia malayi hypothetical protein 0.002 0.0036 0.0034
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.002 0.0036 0.0281
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0686 0.8581 1
Onchocerca volvulus 0.0039 0.027 0.0305
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.001
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0039 0.027 0.1688
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0039 0.027 0.1688
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0039 0.027 0.1733
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.001
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0039 0.027 0.1733
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0039 0.027 0.0324
Loa Loa (eye worm) nuclear receptor NHR-67 0.0018 0.0008 0.001
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0039 0.027 0.0314
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0139 0.1556 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0039 0.027 0.1733
Brugia malayi hypothetical protein 0.002 0.0036 0.0034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0039 0.027 0.0324
Loa Loa (eye worm) hypothetical protein 0.0039 0.027 0.0324
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0039 0.027 0.0314
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0039 0.027 0.0324
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.001
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.001
Loa Loa (eye worm) hypothetical protein 0.0264 0.3163 0.3802
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0018 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.001
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.001
Echinococcus granulosus thyroid hormone receptor alpha 0.0018 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0039 0.027 0.0324
Loa Loa (eye worm) hypothetical protein 0.0039 0.027 0.0324
Loa Loa (eye worm) hypothetical protein 0.002 0.0036 0.0044
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0039 0.027 0.1688
Echinococcus granulosus Nuclear hormone receptor HR96 0.0018 0.0008 0.0054
Onchocerca volvulus 0.0264 0.3163 0.368
Echinococcus granulosus FTZ F1 alpha 0.0039 0.027 0.1733
Loa Loa (eye worm) hypothetical protein 0.0039 0.027 0.0324
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0018 0.0008 0.0065
Schistosoma mansoni nuclear hormone receptor 0.0039 0.027 0.1688
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0039 0.027 0.2083
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0039 0.027 0.0314
Echinococcus granulosus Nuclear hormone receptor HR96 0.0018 0.0008 0.0054
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0039 0.027 0.1733
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0118 0.1295 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.001
Loa Loa (eye worm) hypothetical protein 0.002 0.0036 0.0044
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0089 0.0917 0.7085
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0039 0.027 0.2083
Echinococcus multilocularis FTZ F1 alpha 0.0039 0.027 0.2083
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0039 0.027 0.0314
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.002 0.0036 0.0044
Echinococcus multilocularis nuclear receptor nhr 48 0.0018 0.0008 0.0065
Loa Loa (eye worm) hypothetical protein 0.002 0.0036 0.0044
Loa Loa (eye worm) hypothetical protein 0.002 0.0036 0.0044
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0039 0.027 0.1733
Onchocerca volvulus Protein ultraspiracle homolog 0.0039 0.027 0.0305
Loa Loa (eye worm) hypothetical protein 0.0039 0.027 0.0324
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.002 0.0036 0.0234
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0039 0.027 0.2083
Brugia malayi nuclear receptor NHR-88 0.0039 0.027 0.0314
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0039 0.027 0.0324
Loa Loa (eye worm) hypothetical protein 0.0647 0.8087 0.972
Loa Loa (eye worm) hypothetical protein 0.0039 0.027 0.0324
Echinococcus multilocularis thyroid hormone receptor alpha 0.0039 0.027 0.2083
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0039 0.027 0.0324
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0039 0.027 0.2083
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0039 0.027 0.0314
Echinococcus granulosus ecdysone induced protein 78C 0.0039 0.027 0.1733
Loa Loa (eye worm) hypothetical protein 0.0039 0.027 0.0324
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0039 0.027 0.1688
Loa Loa (eye worm) hypothetical protein 0.002 0.0036 0.0044
Schistosoma mansoni thyroid hormone receptor 0.0039 0.027 0.1688
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.001
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.001
Schistosoma mansoni retinoic acid receptor RXR 0.0139 0.1556 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.001
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0039 0.027 0.1733
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0039 0.027 0.2083
Brugia malayi steroid hormone receptor 0.0039 0.027 0.0314
Echinococcus multilocularis ecdysone induced protein 78C 0.0039 0.027 0.2083
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0039 0.027 0.0314
Echinococcus granulosus nuclear receptor nhr 48 0.0018 0.0008 0.0054
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0008 0.0065
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0039 0.027 0.1688
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0039 0.027 0.2083
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0018 0.0008 0.0065
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0018 0.0008 0.0065
Onchocerca volvulus Bile acid receptor homolog 0.0039 0.027 0.0305
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.001
Loa Loa (eye worm) steroid hormone receptor 0.0039 0.027 0.0324
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0036 0.0034
Echinococcus granulosus nuclear factor of activated T cells 5 0.0089 0.0917 0.5895
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0039 0.027 0.0314
Schistosoma mansoni RAR-like nuclear receptor 0.0039 0.027 0.1688
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0036 0.0034
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0039 0.027 0.0314
Brugia malayi nuclear hormone receptor 0.0665 0.832 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.027 0.0324
Brugia malayi photoreceptor-specific nuclear receptor 0.0039 0.027 0.0314

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10 uM In vitro inhibitory activity against human Jurkat T-Cells stably transfected with an Nuclear factor kappa B transcription factor ChEMBL. 9484492
IC50 (binding) > 10 uM In vitro inhibitory activity against human Jurkat T-Cells stably transfected with activating transcription factor 1 ChEMBL. 9484492
IC50 (binding) > 10 uM In vitro inhibitory activity against human Jurkat T-Cells stably transfected with an Nuclear factor kappa B transcription factor ChEMBL. 9484492
IC50 (binding) > 10 uM In vitro inhibitory activity against human Jurkat T-Cells stably transfected with activating transcription factor 1 ChEMBL. 9484492

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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