Detailed information for compound 330592

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 309.154 | Formula: C12H10Cl2N6
  • H donors: 3 H acceptors: 3 LogP: 2.62 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc2nc([nH]c2c(n1)N)Cc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C12H10Cl2N6/c13-6-2-1-5(3-7(6)14)4-8-17-9-10(15)19-12(16)20-11(9)18-8/h1-3H,4H2,(H5,15,16,17,18,19,20)
  • InChiKey: KTIBQQKVGFLXAY-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
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.1338 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.1338 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0707 0.5164 0.5159
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.1338 1 1
Loa Loa (eye worm) hypothetical protein 0.1338 1 1
Loa Loa (eye worm) hypothetical protein 0.0631 0.4584 0.4579
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0631 0.4584 0.4579
Brugia malayi hypothetical protein 0.0173 0.1072 0.1063
Brugia malayi Nuclear hormone receptor E75 0.0631 0.4584 0.4579
Loa Loa (eye worm) hypothetical protein 0.0631 0.4584 0.4579
Brugia malayi hypothetical protein 0.0631 0.4584 0.4579
Echinococcus granulosus FTZ F1 alpha 0.1338 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0631 0.4584 0.4584
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0631 0.4584 0.4579
Echinococcus multilocularis FTZ F1 alpha 0.1338 1 1
Brugia malayi nuclear receptor RXR 0.0631 0.4584 0.4579
Schistosoma mansoni nuclear receptor nhr-48 0.0631 0.4584 0.4579
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0631 0.4584 0.4579
Schistosoma mansoni hypothetical protein 0.0039 0.0047 0.0037
Onchocerca volvulus 0.0173 0.1072 0.1063
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.1338 1 1
Loa Loa (eye worm) hypothetical protein 0.0707 0.5164 0.5159
Brugia malayi ecdysone receptor 0.0631 0.4584 0.4579
Trichomonas vaginalis set domain proteins, putative 0.0271 0.1824 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0707 0.5164 0.5159
Schistosoma mansoni zinc finger protein 0.0631 0.4584 0.4579
Loa Loa (eye worm) hypothetical protein 0.1338 1 1
Onchocerca volvulus 0.0631 0.4584 0.4579
Schistosoma mansoni thyroid hormone receptor 0.1338 1 1
Loa Loa (eye worm) hypothetical protein 0.0707 0.5164 0.5159
Loa Loa (eye worm) hypothetical protein 0.0707 0.5164 0.5159
Schistosoma mansoni hypothetical protein 0.0194 0.1233 0.1224
Brugia malayi Nuclear hormone receptor family member nhr-1 0.1338 1 1
Brugia malayi nuclear hormone receptor 0.0631 0.4584 0.4579
Schistosoma mansoni hypothetical protein 0.0194 0.1233 0.1224
Schistosoma mansoni coup transcription factor 0.1338 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0185 0.0175
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.1338 1 1
Loa Loa (eye worm) hypothetical protein 0.0631 0.4584 0.4579
Loa Loa (eye worm) hypothetical protein 0.0631 0.4584 0.4579
Loa Loa (eye worm) hypothetical protein 0.1338 1 1
Onchocerca volvulus 0.0271 0.1824 0.1816
Loa Loa (eye worm) DR-78 0.0631 0.4584 0.4579
Brugia malayi steroid hormone receptor 0.1338 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0631 0.4584 0.4584
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0631 0.4584 0.4579
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.1338 1 1
Brugia malayi nuclear receptor NHR-88 0.0631 0.4584 0.4579
Echinococcus granulosus retinoic acid receptor rxr beta a 0.1338 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0631 0.4584 0.4579
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0631 0.4584 0.4579
Loa Loa (eye worm) hypothetical protein 0.0707 0.5164 0.5159
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0707 0.5164 0.5159
Brugia malayi Nuclear hormone receptor family member nhr-31 0.1338 1 1
Brugia malayi Nuclear hormone receptor E75 0.0631 0.4584 0.4579
Onchocerca volvulus Bile acid receptor homolog 0.1338 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0631 0.4584 0.4584
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0707 0.5164 0.5159
Loa Loa (eye worm) hypothetical protein 0.0631 0.4584 0.4579
Brugia malayi hypothetical protein 0.0631 0.4584 0.4579
Brugia malayi Nuclear hormone receptor family member nhr-19 0.1338 1 1
Brugia malayi hypothetical protein 0.0707 0.5164 0.5159
Schistosoma mansoni nuclear hormone receptor 0.1338 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.1338 1 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0927 0.6853 0.685
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.1338 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0631 0.4584 0.4584
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.1338 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.1338 1 1
Schistosoma mansoni nuclear hormone receptor 0.0631 0.4584 0.4579
Schistosoma mansoni nuclear hormone receptor 0.0631 0.4584 0.4579
Loa Loa (eye worm) hypothetical protein 0.0173 0.1072 0.1063
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.1338 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.1338 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.1338 1 1
Echinococcus granulosus geminin 0.0194 0.1233 0.1233
Echinococcus multilocularis geminin 0.0194 0.1233 0.1224
Plasmodium vivax SET domain protein, putative 0.0034 0.001 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.1338 1 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0631 0.4584 0.4579
Onchocerca volvulus 0.0631 0.4584 0.4579
Schistosoma mansoni nuclear receptor 0.0631 0.4584 0.4579
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.1338 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0631 0.4584 0.4579
Brugia malayi Nuclear hormone receptor family member nhr-3 0.1338 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.1338 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.1338 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.1338 1 1
Loa Loa (eye worm) hypothetical protein 0.1338 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.1338 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0185 0.0175
Loa Loa (eye worm) steroid hormone receptor 0.1338 1 1
Brugia malayi nuclear receptor NHR-67 0.0631 0.4584 0.4579
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0707 0.5164 0.5159
Loa Loa (eye worm) hypothetical protein 0.0631 0.4584 0.4579
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0631 0.4584 0.4579
Onchocerca volvulus 0.1338 1 1
Loa Loa (eye worm) hypothetical protein 0.1338 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.1338 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.1338 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.1338 1 1
Loa Loa (eye worm) hypothetical protein 0.0631 0.4584 0.4579
Brugia malayi Nuclear hormone receptor family member nhr-19 0.1338 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.1338 1 1
Loa Loa (eye worm) hypothetical protein 0.0631 0.4584 0.4579
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0047 0.0037
Brugia malayi Nuclear hormone receptor family member nhr-25 0.1338 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0631 0.4584 0.4579
Brugia malayi Nuclear hormone receptor family member nhr-14 0.1338 1 1
Brugia malayi conserved hypotetical protein 0.0631 0.4584 0.4579
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.1338 1 1
Loa Loa (eye worm) hypothetical protein 0.1338 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.1338 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0631 0.4584 0.4579
Schistosoma mansoni thyroid hormone receptor 0.1338 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.1338 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0631 0.4584 0.4579
Brugia malayi orphan nuclear receptor NR2E1 0.0631 0.4584 0.4579
Schistosoma mansoni nuclear receptor 0.0631 0.4584 0.4579
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.1338 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.1338 1 1
Loa Loa (eye worm) hypothetical protein 0.0631 0.4584 0.4579
Echinococcus granulosus nuclear receptor 2DBD gamma 0.1338 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.1338 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0631 0.4584 0.4579
Loa Loa (eye worm) hypothetical protein 0.0707 0.5164 0.5159
Brugia malayi Nuclear hormone receptor-like 1 0.0707 0.5164 0.5159
Loa Loa (eye worm) nuclear receptor NHR-67 0.0631 0.4584 0.4579
Echinococcus multilocularis nuclear receptor nhr 48 0.0631 0.4584 0.4579
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.1338 1 1
Brugia malayi hypothetical protein 0.0707 0.5164 0.5159
Schistosoma mansoni RAR-like nuclear receptor 0.1338 1 1
Loa Loa (eye worm) hypothetical protein 0.0631 0.4584 0.4579
Schistosoma mansoni steroid hormone receptor ad4bp 0.1338 1 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.001 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0047 0.0037
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0707 0.5164 0.5164
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0185 0.0175
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.1338 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.1338 1 1
Loa Loa (eye worm) hypothetical protein 0.1338 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0185 0.0175
Loa Loa (eye worm) hypothetical protein 0.0631 0.4584 0.4579
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.1338 1 1
Brugia malayi Steroid receptor seven-up type 2 0.1338 1 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0631 0.4584 0.4579
Brugia malayi Pre-SET motif family protein 0.0238 0.1572 0.1564
Loa Loa (eye worm) hypothetical protein 0.0631 0.4584 0.4579
Brugia malayi nuclear receptor NHR-88 0.1338 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.1338 1 1
Brugia malayi nuclear receptor RXR 0.0707 0.5164 0.5159
Brugia malayi Nuclear hormone receptor family member nhr-40 0.1338 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0631 0.4584 0.4584
Brugia malayi nuclear hormone receptor 0.1338 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0238 0.1572 0.1564
Echinococcus multilocularis ecdysone induced protein 78C 0.1338 1 1
Brugia malayi tailless protein 0.0631 0.4584 0.4579
Echinococcus granulosus nuclear receptor 2DBD gamma 0.1338 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.1338 1 1
Loa Loa (eye worm) hypothetical protein 0.0631 0.4584 0.4579
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0631 0.4584 0.4584
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.1338 1 1

Activities

Activity type Activity value Assay description Source Reference
I50 (binding) = 252 uM Inhibitory activity against rat liver Dihydrofolate reductase ChEMBL. 15267250
IC50 (binding) = 252 uM Inhibitory activity against rat liver Dihydrofolate reductase ChEMBL. 15267250

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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