Detailed information for compound 515446

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 509.599 | Formula: C30H31N5O3
  • H donors: 1 H acceptors: 3 LogP: 3.03 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(NCc1nc2ccccc2c(=O)n1c1ccccc1)CCN1CCN(CC1)c1ccc(cc1)C(=O)C
  • InChi: 1S/C30H31N5O3/c1-22(36)23-11-13-24(14-12-23)34-19-17-33(18-20-34)16-15-29(37)31-21-28-32-27-10-6-5-9-26(27)30(38)35(28)25-7-3-2-4-8-25/h2-14H,15-21H2,1H3,(H,31,37)
  • InChiKey: HYAZBVRVHNKODG-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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_133074 All targets in OG5_133074
Schistosoma mansoni 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
Onchocerca volvulus 0.0227 0.2927 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0457 0.6601 1
Echinococcus granulosus geminin 0.0193 0.2388 0.3618
Schistosoma mansoni single-minded 0.0069 0.0416 0.063
Echinococcus multilocularis transfer RNA-Lys 0.0051 0.0129 0.0195
Echinococcus multilocularis jun protein 0.0289 0.3915 0.5931
Brugia malayi PAS domain containing protein 0.0069 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.0281 0.3789 0.3789
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0289 0.3915 0.5931
Brugia malayi bHLH-PAS transcription factor 0.0051 0.0129 0.0129
Schistosoma mansoni hypothetical protein 0.0235 0.3053 0.4624
Loa Loa (eye worm) hypothetical protein 0.0131 0.14 0.14
Mycobacterium ulcerans putative regulatory protein 0.0051 0.0129 0.5
Echinococcus multilocularis aryl hydrocarbon receptor 0.015 0.1696 0.257
Echinococcus granulosus biogenic amine 5HT receptor 0.0457 0.6601 1
Echinococcus granulosus jun protein 0.0289 0.3915 0.5931
Echinococcus granulosus single minded 2 0.0051 0.0129 0.0195
Loa Loa (eye worm) hypothetical protein 0.0149 0.1687 0.1687
Schistosoma mansoni hypothetical protein 0.0193 0.2388 0.3618
Schistosoma mansoni hypothetical protein 0.0193 0.2388 0.3618
Brugia malayi bZIP transcription factor family protein 0.0289 0.3915 0.3915
Echinococcus multilocularis geminin 0.0193 0.2388 0.3618
Loa Loa (eye worm) hypothetical protein 0.0671 1 1
Echinococcus granulosus aryl hydrocarbon receptor 0.015 0.1696 0.257
Onchocerca volvulus 0.0149 0.1687 0.5764
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0131 0.14 0.14
Brugia malayi hypothetical protein 0.0227 0.2927 0.2927
Onchocerca volvulus 0.0052 0.0139 0.0473
Loa Loa (eye worm) hypothetical protein 0.0132 0.141 0.141
Schistosoma mansoni jun-related protein 0.0235 0.3053 0.4624
Schistosoma mansoni aryl hydrocarbon receptor 0.0201 0.2514 0.3808
Schistosoma mansoni biogenic amine (5HT) receptor 0.0457 0.6601 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0289 0.3915 0.5931

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.046 Inhibition of 5HT7 receptor by radioligand binding assay ChEMBL. 19013691
IC50 (binding) = 9000 nM Displacement of [3H]LSD from human recombinant 5HT7 receptor ChEMBL. 18083580
IC50 (binding) = 9000 nM Displacement of [3H]LSD from human recombinant 5HT7 receptor ChEMBL. 18083580

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

2 literature references were collected for this gene.

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