Detailed information for compound 1871205

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 396.445 | Formula: C23H20N6O
  • H donors: 1 H acceptors: 6 LogP: 1.77 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cn1)c1cnccn1)Cc1cnc(c(c1)C)c1ccnc(c1)C
  • InChi: 1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)
  • InChiKey: XXYGTCZJJLTAGH-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
Homo sapiens porcupine homolog (Drosophila) Starlite/ChEMBL References
Mus musculus porcupine homolog (Drosophila) 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 protein cysteine N palmitoyltransferase 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 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
Loa Loa (eye worm) MBOAT family protein 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
Echinococcus granulosus 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
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0598 1 1
Schistosoma mansoni zinc finger protein 0.0598 1 0.5
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0598 1 1
Loa Loa (eye worm) MBOAT family protein 0.0598 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.4 nM Inhibition of porcupine activity (unknown origin) expressed in human HT1080 cells assessed as suppression of Wnt3A-mediated super top flash activity by STF luciferase assay ChEMBL. 26522946
IC50 (binding) = 0.9 nM Inhibition of porcupine in mouse L Wnt3A cells co-cultured with HEK293 cells after 48 hrs by Super-top flash reporter gene assay LITERATURE. 27692509
Inhibition (binding) Inhibition of porcupine in HEK293T cells transfected with pLibin-WNT3A plasmid assessed as reduction in Wnt3A secretion into cell culture medium at 0 LITERATURE. 27692509
Inhibition (binding) Inhibition of porcupine (unknown origin) in HEK293T cells transfected with pLibin-WNT3A plasmid assessed as reduction in Wnt3A secretion into cell culture medium at 0.1 uM after 48 hrs by Western blot technique ChEMBL. 26647303

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

3 literature references were collected for this gene.

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