Detailed information for compound 1726715

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 478.61 | Formula: C23H18N4O2S3
  • H donors: 1 H acceptors: 3 LogP: 4.65 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1scc(n1)c1ccccc1)CSc1nc2CCSc2c(=O)n1c1ccccc1
  • InChi: 1S/C23H18N4O2S3/c28-19(26-22-24-18(13-31-22)15-7-3-1-4-8-15)14-32-23-25-17-11-12-30-20(17)21(29)27(23)16-9-5-2-6-10-16/h1-10,13H,11-12,14H2,(H,24,26,28)
  • InChiKey: JEGLSFWNRZCXHI-UHFFFAOYSA-N  


Substructure search Similarity search

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
Brugia malayi MBOAT family 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
Echinococcus multilocularis protein cysteine N palmitoyltransferase 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
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
Schistosoma japonicum ko:K00181 porcupine, putative 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
Brugia malayi hypothetical protein 0.0452 0.2676 0.4536
Loa Loa (eye worm) hypothetical protein 0.0118 0.0513 0.0869
Loa Loa (eye worm) thymidylate synthase 0.0949 0.5899 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0549 0.3303 0.56
Loa Loa (eye worm) hypothetical protein 0.0172 0.0865 0.1466
Schistosoma mansoni hypothetical protein 0.0054 0.0104 0.0176
Loa Loa (eye worm) hypothetical protein 0.0041 0.0019 0.0032
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0054 0.0104 0.0176
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0019 0.0032
Loa Loa (eye worm) hypothetical protein 0.0041 0.0019 0.0032
Loa Loa (eye worm) hypothetical protein 0.0041 0.0019 0.0032
Echinococcus granulosus thymidylate synthase 0.0949 0.5899 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0949 0.5899 0.5891
Brugia malayi Pre-SET motif family protein 0.0244 0.1331 0.2256
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0949 0.5899 1
Brugia malayi MH2 domain containing protein 0.0549 0.3303 0.56
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0949 0.5899 1
Schistosoma mansoni hypothetical protein 0.0118 0.0513 0.0869
Echinococcus granulosus zinc finger protein 0.0273 0.1521 0.2578
Brugia malayi MBOAT family protein 0.0299 0.1688 0.2861
Echinococcus multilocularis tumor protein p63 0.0388 0.2261 0.3833
Schistosoma mansoni hypothetical protein 0.0054 0.0104 0.0176
Brugia malayi Latrophilin receptor protein 2 0.0054 0.0104 0.0176
Brugia malayi beta-lactamase family protein 0.0041 0.0019 0.0032
Schistosoma mansoni zinc finger protein 0.0299 0.1688 0.2861
Schistosoma mansoni cellular tumor antigen P53 0.0057 0.0119 0.0201
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0054 0.0104 0.0176
Brugia malayi beta-lactamase family protein 0.0041 0.0019 0.0032
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0949 0.5899 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0549 0.3303 0.56
Echinococcus multilocularis zinc finger protein 0.0273 0.1521 0.2578
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0019 0.0032
Echinococcus granulosus tumor protein p63 0.0388 0.2261 0.3833
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0299 0.1688 0.2861
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0054 0.0104 0.0176
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0452 0.2676 0.4519
Loa Loa (eye worm) beta-lactamase 0.0041 0.0019 0.0032
Echinococcus multilocularis thymidylate synthase 0.0949 0.5899 1
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0299 0.1688 0.2861
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0949 0.5899 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0949 0.5899 1
Brugia malayi thymidylate synthase 0.0949 0.5899 1
Echinococcus granulosus GPCR family 2 0.0054 0.0104 0.0176
Loa Loa (eye worm) hypothetical protein 0.0041 0.0019 0.0032
Echinococcus multilocularis GPCR, family 2 0.0054 0.0104 0.0176
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0949 0.5899 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0054 0.0104 0.0176
Schistosoma mansoni hypothetical protein 0.0054 0.0104 0.0176
Loa Loa (eye worm) hypothetical protein 0.0054 0.0104 0.0176
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0172 0.0865 0.1466
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0019 0.0032
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0244 0.1331 0.2256
Onchocerca volvulus 0.0949 0.5899 1
Trichomonas vaginalis conserved hypothetical protein 0.0452 0.2676 1
Schistosoma mansoni hypothetical protein 0.0054 0.0104 0.0176
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0054 0.0104 0.0176
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0172 0.0865 0.1466
Trichomonas vaginalis set domain proteins, putative 0.0278 0.1549 0.5761
Brugia malayi Calcitonin receptor-like protein seb-1 0.0172 0.0865 0.1466
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0019 0.0032
Mycobacterium tuberculosis Hypothetical protein 0.0452 0.2676 0.2662
Onchocerca volvulus 0.0041 0.0019 0.0032
Mycobacterium ulcerans thymidylate synthase 0.0949 0.5899 0.5891
Onchocerca volvulus 0.0278 0.1549 0.2626
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0054 0.0104 0.0176
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0019 0.0032
Onchocerca volvulus 0.0041 0.0019 0.0032
Loa Loa (eye worm) hypothetical protein 0.0041 0.0019 0.0032
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0019 0.0032
Brugia malayi beta-lactamase 0.0041 0.0019 0.0032
Onchocerca volvulus 0.0057 0.0119 0.0201
Loa Loa (eye worm) hypothetical protein 0.0041 0.0019 0.0032
Brugia malayi latrophilin 2 splice variant baaae 0.0118 0.0513 0.0869
Onchocerca volvulus 0.0041 0.0019 0.0032
Loa Loa (eye worm) MBOAT family protein 0.0299 0.1688 0.2861
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0949 0.5899 0.5891
Loa Loa (eye worm) hypothetical protein 0.0057 0.0119 0.0201
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0949 0.5899 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0264 0.146 0.1444

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 350 nM 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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