Detailed information for compound 1724390

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 437.535 | Formula: C22H19N3O3S2
  • H donors: 1 H acceptors: 3 LogP: 3.31 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)C(=O)C)CSc1nc2CCSc2c(=O)n1c1ccccc1
  • InChi: 1S/C22H19N3O3S2/c1-14(26)15-7-9-16(10-8-15)23-19(27)13-30-22-24-18-11-12-29-20(18)21(28)25(22)17-5-3-2-4-6-17/h2-10H,11-13H2,1H3,(H,23,27)
  • InChiKey: SZJHDTJNNRUMTM-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus porcupine homolog (Drosophila) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni zinc finger protein Get druggable targets OG5_133309 All targets in OG5_133309
Echinococcus multilocularis zinc finger protein Get druggable targets OG5_133309 All targets in OG5_133309
Echinococcus granulosus zinc finger protein Get druggable targets OG5_133309 All targets in OG5_133309
Loa Loa (eye worm) MBOAT family protein Get druggable targets OG5_133309 All targets in OG5_133309
Echinococcus granulosus protein cysteine N palmitoyltransferase Get druggable targets OG5_133309 All targets in OG5_133309
Brugia malayi MBOAT family protein Get druggable targets OG5_133309 All targets in OG5_133309
Schistosoma japonicum ko:K00181 porcupine, putative Get druggable targets OG5_133309 All targets in OG5_133309
Echinococcus multilocularis protein cysteine N palmitoyltransferase Get druggable targets OG5_133309 All targets in OG5_133309

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
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0512 0.1161 0.5
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0299 0.0126 0.1082
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0512 0.1161 1
Brugia malayi Probable DNA topoisomerase II 0.0512 0.1161 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0512 0.1161 1
Leishmania major mitochondrial DNA topoisomerase II 0.0877 0.2942 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0877 0.2942 1
Entamoeba histolytica DNA topoisomerase II, putative 0.0512 0.1161 0.5
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.1108 0.407 1
Plasmodium falciparum DNA gyrase subunit B 0.1123 0.4144 0.3374
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0299 0.0126 0.1082
Plasmodium vivax DNA gyrase subunit B, putative 0.1123 0.4144 0.3374
Chlamydia trachomatis DNA gyrase subunit B 0.1123 0.4144 0.2332
Trypanosoma brucei DNA topoisomerase ii 0.0877 0.2942 1
Loa Loa (eye worm) TOPoisomerase family member 0.0512 0.1161 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0512 0.1161 1
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0512 0.1161 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0877 0.2942 1
Giardia lamblia DNA topoisomerase II 0.0475 0.0985 0.5
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0512 0.1161 0.5
Schistosoma mansoni DNA topoisomerase II 0.0512 0.1161 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0636 0.1766 0.0684
Trichomonas vaginalis DNA topoisomerase II, putative 0.0512 0.1161 0.5
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0512 0.1161 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) > 1 uM Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay ChEMBL. 23477365

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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