Detailed information for compound 35695

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 373.857 | Formula: C18H16ClN3O2S
  • H donors: 1 H acceptors: 2 LogP: 4.69 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1cc(cc(c1Sc1ccc(cc1)Cl)C)n1ncc(=O)[nH]c1=O
  • InChi: 1S/C18H16ClN3O2S/c1-3-12-9-14(22-18(24)21-16(23)10-20-22)8-11(2)17(12)25-15-6-4-13(19)5-7-15/h4-10H,3H2,1-2H3,(H,21,23,24)
  • InChiKey: FAAJJBSXYSZVHI-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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 FTZ-F1 nuclear receptor-like protein 0.0125 0.7181 0.7181
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0066 0.0769 0.0769
Loa Loa (eye worm) hypothetical protein 0.0125 0.7181 1
Brugia malayi Nuclear hormone receptor-like 1 0.0125 0.7181 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0125 0.7181 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0125 0.7181 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0125 0.7181 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0125 0.7181 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0125 0.7181 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0125 0.7181 1
Trypanosoma brucei RNA helicase, putative 0.0151 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0125 0.7181 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0769 0.1071
Loa Loa (eye worm) steroid hormone receptor 0.0125 0.7181 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0125 0.7181 1
Brugia malayi hypothetical protein 0.0066 0.0769 0.1071
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0125 0.7181 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0125 0.7181 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0125 0.7181 1
Schistosoma mansoni coup transcription factor 0.0125 0.7181 0.7181
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0125 0.7181 0.7181
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0125 0.7181 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0125 0.7181 0.7181
Echinococcus multilocularis thyroid hormone receptor alpha 0.0125 0.7181 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0125 0.7181 1
Schistosoma mansoni retinoic acid receptor RXR 0.0125 0.7181 0.7181
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0125 0.7181 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0125 0.7181 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0125 0.7181 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0066 0.0769 0.1071
Brugia malayi nuclear receptor RXR 0.0066 0.0769 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0125 0.7181 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0125 0.7181 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.7181 1
Echinococcus multilocularis FTZ F1 alpha 0.0125 0.7181 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0125 0.7181 1
Echinococcus granulosus FTZ F1 alpha 0.0125 0.7181 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0125 0.7181 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0125 0.7181 1
Schistosoma mansoni thyroid hormone receptor 0.0125 0.7181 0.7181
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0125 0.7181 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0125 0.7181 0.7181
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0125 0.7181 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.7181 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0125 0.7181 1
Brugia malayi Steroid receptor seven-up type 2 0.0125 0.7181 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.7181 1
Brugia malayi steroid hormone receptor 0.0125 0.7181 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0125 0.7181 1
Schistosoma mansoni thyroid hormone receptor 0.0125 0.7181 0.7181
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0125 0.7181 0.7181
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0125 0.7181 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0125 0.7181 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.7181 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0769 0.1071
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0066 0.0769 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0125 0.7181 1
Brugia malayi hypothetical protein 0.0066 0.0769 0.1071
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0125 0.7181 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.7181 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0066 0.0769 0.0769
Onchocerca volvulus 0.0125 0.7181 1
Brugia malayi Nuclear hormone receptor-like 1 0.0066 0.0769 0.1071
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0125 0.7181 1
Schistosoma mansoni nuclear hormone receptor 0.0125 0.7181 0.7181
Loa Loa (eye worm) hypothetical protein 0.0066 0.0769 0.1071
Onchocerca volvulus Bile acid receptor homolog 0.0125 0.7181 1
Brugia malayi Nuclear hormone receptor-like 1 0.0066 0.0769 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0125 0.7181 1
Schistosoma mansoni RAR-like nuclear receptor 0.0125 0.7181 0.7181
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0125 0.7181 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0125 0.7181 1
Echinococcus granulosus ecdysone induced protein 78C 0.0125 0.7181 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0125 0.7181 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0125 0.7181 0.7181
Loa Loa (eye worm) hypothetical protein 0.0066 0.0769 0.1071
Loa Loa (eye worm) hypothetical protein 0.0125 0.7181 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0125 0.7181 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0066 0.0769 0.1071
Brugia malayi ecdysteroid receptor 0.0125 0.7181 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0125 0.7181 0.7181
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0125 0.7181 1
Brugia malayi nuclear hormone receptor 0.0125 0.7181 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0125 0.7181 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0125 0.7181 1
Brugia malayi nuclear receptor NHR-88 0.0125 0.7181 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0769 0.1071

Activities

Activity type Activity value Assay description Source Reference
cLogP = 6.654 Calculated partition coefficient of the compound ChEMBL. 1635056
Log 1/MEC (functional) = 0.79 Minimum effective concentration for anti-coccidial activity against oocytes of coccidian parasite Eimeria tenella in chicks expressed as mmol/kg of feed ChEMBL. 1635056
MEC (functional) = 60 p.p.m. Minimum effective concentration in feed to protect chickens against infections caused by Eimeria tenella ChEMBL. 6895527

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

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.