Detailed information for compound 1492825

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 391.834 | Formula: C19H10ClN5OS
  • H donors: 1 H acceptors: 4 LogP: 3.92 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(=O)[nH]c(nc1c1ccccc1)Sc1nc2ccccc2nc1Cl
  • InChi: 1S/C19H10ClN5OS/c20-16-18(23-14-9-5-4-8-13(14)22-16)27-19-24-15(11-6-2-1-3-7-11)12(10-21)17(26)25-19/h1-9H,(H,24,25,26)
  • InChiKey: IUCMLYQNNCYYDG-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
Entamoeba histolytica hypothetical protein 0.0035 0.2503 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.1159 0.1159
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.1159 0.1159
Onchocerca volvulus 0.002 0.1159 1
Brugia malayi nuclear receptor RXR 0.001 0.0161 0.0161
Brugia malayi Steroid receptor seven-up type 2 0.002 0.1159 0.1159
Brugia malayi hypothetical protein 0.001 0.0161 0.0161
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0268 0.0268
Entamoeba histolytica hypothetical protein 0.0035 0.2503 0.5
Schistosoma mansoni nuclear receptor 0.001 0.0161 0.0475
Loa Loa (eye worm) transcription factor SMAD2 0.0116 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.1159 0.1159
Loa Loa (eye worm) hypothetical protein 0.002 0.1159 0.1159
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.1159 0.343
Brugia malayi nuclear hormone receptor family member nhr-6 0.001 0.0161 0.0161
Loa Loa (eye worm) steroid hormone receptor 0.002 0.1159 0.1159
Echinococcus granulosus FTZ F1 alpha 0.002 0.1159 0.343
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.338 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.1159 0.343
Loa Loa (eye worm) hypothetical protein 0.002 0.1159 0.1159
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.1159 0.1159
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.1159 0.1159
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.338 1
Schistosoma mansoni thyroid hormone receptor 0.002 0.1159 0.343
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.1159 0.1159
Brugia malayi nuclear hormone receptor family member odr-7 0.001 0.0161 0.0161
Brugia malayi hypothetical protein 0.0011 0.0268 0.0268
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.2503 0.7404
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0161 0.0475
Loa Loa (eye worm) hypothetical protein 0.001 0.0161 0.0161
Brugia malayi Nuclear hormone receptor E75 0.001 0.0161 0.0161
Loa Loa (eye worm) hypothetical protein 0.002 0.1159 0.1159
Echinococcus multilocularis nuclear receptor nhr 48 0.001 0.0161 0.0475
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.1159 0.343
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.1159 0.343
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.1159 0.343
Loa Loa (eye worm) hypothetical protein 0.001 0.0161 0.0161
Loa Loa (eye worm) hypothetical protein 0.0011 0.0268 0.0268
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.338 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0161 0.0161
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.001 0.0161 0.0161
Brugia malayi nuclear hormone receptor 0.001 0.0161 0.0161
Schistosoma mansoni coup transcription factor 0.002 0.1159 0.343
Loa Loa (eye worm) hypothetical protein 0.002 0.1159 0.1159
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.338 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.338 1
Echinococcus multilocularis FTZ F1 alpha 0.002 0.1159 0.343
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.1159 0.343
Loa Loa (eye worm) hypothetical protein 0.0011 0.0268 0.0268
Brugia malayi ecdysteroid receptor 0.002 0.1159 0.1159
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.1159 0.1159
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.1159 0.1159
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.1159 0.343
Loa Loa (eye worm) hypothetical protein 0.0011 0.0268 0.0268
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.1159 0.343
Brugia malayi nuclear receptor NHR-88 0.002 0.1159 0.1159
Loa Loa (eye worm) hypothetical protein 0.001 0.0161 0.0161
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0268 0.0268
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.1159 0.1159
Loa Loa (eye worm) hypothetical protein 0.002 0.1159 0.1159
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.1159 0.1159
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.1159 0.343
Loa Loa (eye worm) hypothetical protein 0.001 0.0161 0.0161
Loa Loa (eye worm) hypothetical protein 0.001 0.0161 0.0161
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.1159 0.1159
Loa Loa (eye worm) hypothetical protein 0.0011 0.0268 0.0268
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.1159 0.343
Brugia malayi nuclear receptor NHR-67 0.001 0.0161 0.0161
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.1159 0.343
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.1159 0.343
Loa Loa (eye worm) hypothetical protein 0.001 0.0161 0.0161
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0268 0.0792
Schistosoma mansoni nuclear receptor 0.001 0.0161 0.0475
Loa Loa (eye worm) hypothetical protein 0.001 0.0161 0.0161
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.1159 0.1159
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.0268 0.0792
Loa Loa (eye worm) hypothetical protein 0.001 0.0161 0.0161
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.1159 0.343
Loa Loa (eye worm) hypothetical protein 0.0011 0.0268 0.0268
Brugia malayi hypothetical protein 0.0011 0.0268 0.0268
Loa Loa (eye worm) nuclear receptor nhr-7B 0.001 0.0161 0.0161
Schistosoma mansoni hypothetical protein 0.0035 0.2503 0.7404
Brugia malayi orphan nuclear receptor NR2E1 0.001 0.0161 0.0161
Brugia malayi steroid hormone receptor 0.002 0.1159 0.1159
Schistosoma mansoni thyroid hormone receptor 0.002 0.1159 0.343
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.338 0.338
Schistosoma mansoni nuclear hormone receptor 0.001 0.0161 0.0475
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.1159 0.1159
Loa Loa (eye worm) hypothetical protein 0.002 0.1159 0.1159
Loa Loa (eye worm) hypothetical protein 0.002 0.1159 0.1159
Schistosoma mansoni zinc finger protein 0.001 0.0161 0.0475
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.1159 0.343
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.0268 0.0792
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.1159 0.1159
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.1159 0.343
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.338 0.338
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.0268 0.0792
Brugia malayi nuclear receptor RXR 0.0011 0.0268 0.0268
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.1159 0.1159
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.1159 0.1159
Loa Loa (eye worm) hypothetical protein 0.001 0.0161 0.0161
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.1159 0.1159
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.338 1
Echinococcus granulosus thyroid hormone receptor alpha 0.001 0.0161 0.0475
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.1159 0.343
Entamoeba histolytica hypothetical protein 0.0035 0.2503 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.1159 0.1159
Brugia malayi tailless protein 0.001 0.0161 0.0161
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.1159 0.343
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.1159 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.1159 0.343
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.1159 0.343
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0161 0.0475
Loa Loa (eye worm) hypothetical protein 0.001 0.0161 0.0161
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.001 0.0161 0.0475
Brugia malayi hypothetical protein 0.001 0.0161 0.0161
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.2503 0.7404
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.338 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.1159 0.1159
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.1159 0.343
Entamoeba histolytica hypothetical protein 0.0035 0.2503 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.1159 0.343
Brugia malayi conserved hypotetical protein 0.001 0.0161 0.0161
Loa Loa (eye worm) hypothetical protein 0.001 0.0161 0.0161
Schistosoma mansoni nuclear hormone receptor 0.002 0.1159 0.343
Schistosoma mansoni nuclear receptor nhr-48 0.001 0.0161 0.0475
Echinococcus granulosus nuclear receptor nhr 48 0.001 0.0161 0.0475
Schistosoma mansoni nuclear hormone receptor 0.001 0.0161 0.0475
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.1159 0.1159
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.1159 0.1159
Brugia malayi nuclear hormone receptor 0.002 0.1159 0.1159
Loa Loa (eye worm) hypothetical protein 0.001 0.0161 0.0161
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0161 0.0475
Loa Loa (eye worm) nuclear hormone receptor 0.001 0.0161 0.0161
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.001 0.0161 0.0475
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.1159 0.343
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.1159 0.1159
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.1159 0.343
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0011 0.0268 0.0268
Onchocerca volvulus Bile acid receptor homolog 0.002 0.1159 1
Loa Loa (eye worm) DR-78 0.001 0.0161 0.0161
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0161 0.0475
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 1 1
Brugia malayi hypothetical protein 0.0035 0.2503 0.2503
Loa Loa (eye worm) hypothetical protein 0.002 0.1159 0.1159
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.1159 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0161 0.0475
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0161 0.0475
Brugia malayi Nuclear hormone receptor E75 0.001 0.0161 0.0161
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.001 0.0161 0.0475
Brugia malayi ecdysone receptor 0.001 0.0161 0.0161
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.001 0.0161 0.0475
Brugia malayi nuclear receptor NHR-88 0.001 0.0161 0.0161
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.1159 0.343
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.001 0.0161 0.0475
Loa Loa (eye worm) nuclear receptor NHR-67 0.001 0.0161 0.0161
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.1159 0.343
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.2503 0.7404

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = 60 % Cytotoxicity against human Raji cells assessed as cell viability at 1000 molar ratio by trypan blue staining method ChEMBL. 21145626

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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