Detailed information for compound 929411

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 398.459 | Formula: C20H26N6O3
  • H donors: 0 H acceptors: 3 LogP: 1.49 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cc(OC)ccc1N1CCN(CC1)CCCCn1ncc(=O)n(c1=O)C
  • InChi: 1S/C20H26N6O3/c1-23-19(27)15-22-26(20(23)28)8-4-3-7-24-9-11-25(12-10-24)18-6-5-17(29-2)13-16(18)14-21/h5-6,13,15H,3-4,7-12H2,1-2H3
  • InChiKey: HLEUVIKCSZIUKQ-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
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus granulosus biogenic amine 5HT receptor Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum Octopamine receptor, putative Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum expressed protein Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative Get druggable targets OG5_133249 All targets in OG5_133249
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma mansoni biogenic amine (5HT) receptor Get druggable targets OG5_133249 All targets in OG5_133249

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
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0124 0.7565 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0044 0 0.5
Echinococcus granulosus SWI:SNF matrix associated 0.0124 0.7565 0.7565
Echinococcus multilocularis SWI:SNF matrix associated 0.0124 0.7565 0.7565
Schistosoma mansoni biogenic amine (5HT) receptor 0.015 1 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0044 0 0.5
Leishmania major hypothetical protein, conserved 0.0044 0 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0044 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0044 0 0.5
Schistosoma mansoni hypothetical protein 0.0124 0.7565 0.7565
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0 0.5
Leishmania major hypothetical protein, conserved 0.0044 0 0.5
Schistosoma mansoni hypothetical protein 0.0124 0.7565 0.7565
Leishmania major hypothetical protein, conserved 0.0044 0 0.5
Schistosoma mansoni hypothetical protein 0.0124 0.7565 0.7565
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0044 0 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0124 0.7565 0.7565
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0044 0 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0044 0 0.5
Brugia malayi brahma associated protein 60 kDa 0.0124 0.7565 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0044 0 0.5
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0124 0.7565 0.5
Brugia malayi brahma associated protein 60 kDa 0.0124 0.7565 1
Leishmania major hypothetical protein, conserved 0.0044 0 0.5
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0124 0.7565 0.7565
Chlamydia trachomatis SWIB complex protein 0.0124 0.7565 0.5
Echinococcus multilocularis serotonin receptor 0.015 1 1
Chlamydia trachomatis DNA topoisomerase I 0.0124 0.7565 0.5
Leishmania major hypothetical protein, conserved 0.0044 0 0.5
Schistosoma mansoni brg-1 associated factor 0.0124 0.7565 0.7565
Echinococcus multilocularis SWI:SNF matrix associated 0.0124 0.7565 0.7565
Onchocerca volvulus 0.0124 0.7565 1
Echinococcus multilocularis serotonin receptor 0.015 1 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0124 0.7565 0.7565
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0124 0.7565 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0124 0.7565 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0124 0.7565 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0044 0 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0124 0.7565 1
Loa Loa (eye worm) brahma associated protein 0.0124 0.7565 0.7565
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0124 0.7565 0.7565
Loa Loa (eye worm) hypothetical protein 0.015 1 1
Loa Loa (eye worm) hypothetical protein 0.015 1 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0044 0 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0044 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0124 0.7565 0.5
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0124 0.7565 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 215 nM Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay ChEMBL. 25182564

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.

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