Detailed information for compound 989987

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 397.512 | Formula: C26H27N3O
  • H donors: 0 H acceptors: 1 LogP: 4.14 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Cc2c(N1C/C=C\CN1CCN(CC1)c1cccc3c1cccc3)cccc2
  • InChi: 1S/C26H27N3O/c30-26-20-22-9-2-4-12-24(22)29(26)15-6-5-14-27-16-18-28(19-17-27)25-13-7-10-21-8-1-3-11-23(21)25/h1-13H,14-20H2/b6-5-
  • InChiKey: GIFYHUSNALLKOZ-WAYWQWQTSA-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 7, adenylate cyclase-coupled Starlite/ChEMBL References
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
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma mansoni biogenic amine (5HT) receptor Get druggable targets OG5_133074 All targets in OG5_133074
Schistosoma japonicum Octopamine receptor, putative 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 japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus multilocularis biogenic amine (5HT) receptor Get druggable targets OG5_133074 All targets in OG5_133074
Echinococcus granulosus biogenic amine 5HT 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum expressed protein 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 granulosus biogenic amine 5HT receptor Get druggable targets OG5_133074 All targets in OG5_133074

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 Glutamate receptor, ionotropic kainate 2 0.0082 0.0635 0.0635
Echinococcus multilocularis serotonin receptor 0.0153 0.238 0.238
Schistosoma mansoni glutamate receptor NMDA 0.0135 0.1945 0.1687
Echinococcus granulosus glutamate NMDA receptor subunit 0.0135 0.1945 0.1945
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0135 0.1945 0.1945
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0083 0.0655 0.0655
Schistosoma mansoni voltage-gated potassium channel 0.0091 0.0844 0.0552
Loa Loa (eye worm) hypothetical protein 0.0153 0.238 1
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0082 0.0635 0.0635
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0078 0.0519 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0078 0.0519 0.5
Echinococcus granulosus glutamate receptor 2 0.0082 0.0635 0.0635
Echinococcus granulosus glutamate receptor NMDA 0.0178 0.3001 0.3001
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0082 0.0635 0.0635
Echinococcus multilocularis glutamate receptor 2 0.0082 0.0635 0.0635
Echinococcus granulosus nmda type glutamate receptor 0.0191 0.3326 0.3326
Loa Loa (eye worm) hypothetical protein 0.0072 0.0383 0.0353
Schistosoma mansoni biogenic amine (5HT) receptor 0.0153 0.238 0.2137
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0082 0.0635 0.0635
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0082 0.0635 0.0635
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0082 0.0635 0.0635
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0083 0.0655 0.1668
Echinococcus multilocularis serotonin receptor 0.0153 0.238 0.238
Echinococcus multilocularis biogenic amine (5HT) receptor 0.046 1 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0082 0.0635 0.0635
Schistosoma mansoni biogenic amine (5HT) receptor 0.046 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0083 0.0655 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0083 0.0655 0.0655
Echinococcus multilocularis nmda type glutamate receptor 0.0191 0.3326 0.3326
Echinococcus multilocularis glutamate receptor NMDA 0.0178 0.3001 0.3001
Schistosoma mansoni glutamate receptor NMDA 0.026 0.5042 0.4884
Echinococcus multilocularis nmda type glutamate receptor 0.0203 0.3636 0.3636
Echinococcus granulosus nmda type glutamate receptor 0.0203 0.3636 0.3636
Echinococcus granulosus biogenic amine 5HT receptor 0.0153 0.238 0.238
Echinococcus multilocularis glutamate receptor 2 0.0069 0.0309 0.0309
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0082 0.0635 0.0635
Loa Loa (eye worm) hypothetical protein 0.0153 0.238 1
Schistosoma mansoni voltage-gated potassium channel 0.0091 0.0844 0.0552

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 11.5 nM Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells ChEMBL. 19326916
Ki (binding) = 250 nM Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells ChEMBL. 19326916

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.