Detailed information for compound 313717

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 377.479 | Formula: C23H27N3O2
  • H donors: 0 H acceptors: 0 LogP: 3.69 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1N1CCN(CC1)Cc1ccn(c1)c1ccccc1OC
  • InChi: 1S/C23H27N3O2/c1-27-22-9-5-3-7-20(22)25-15-13-24(14-16-25)17-19-11-12-26(18-19)21-8-4-6-10-23(21)28-2/h3-12,18H,13-17H2,1-2H3
  • InChiKey: KMXUOCZDUYHCPZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Entamoeba histolytica cyclin, putative 0.0035 0.6419 0.0934
Schistosoma mansoni cyclin B3 0.0035 0.6419 0.0934
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.004 1 1
Echinococcus multilocularis cyclins 0.0035 0.6419 0.0934
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.004 1 1
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.004 1 1
Echinococcus multilocularis cyclin b3 0.0035 0.6419 0.0934
Schistosoma mansoni cyclins 0.0035 0.6419 0.0934
Loa Loa (eye worm) hypothetical protein 0.004 1 1
Echinococcus granulosus cyclins 0.0035 0.6419 0.0934
Loa Loa (eye worm) AGC/PKA protein kinase 0.004 1 1
Echinococcus granulosus cyclins 0.0035 0.6419 0.0934
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.004 1 1
Entamoeba histolytica cyclin, putative 0.0035 0.6419 0.0934
Echinococcus multilocularis cyclins 0.0035 0.6419 0.0934
Echinococcus granulosus cyclins 0.0035 0.6419 0.0934
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.004 1 1
Echinococcus multilocularis cyclins 0.0035 0.6419 0.0934
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.004 0.9654 0.9125
Echinococcus granulosus cyclins 0.0035 0.6419 0.0934
Entamoeba histolytica PH domain containing protein kinase, putative 0.004 1 1
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0035 0.6419 0.0934
Leishmania major protein kinase A catalytic subunit isoform 2 0.004 1 1
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.004 1 1
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.004 1 1
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.004 1 1
Giardia lamblia Kinase, AGC PKA 0.004 1 1
Entamoeba histolytica cyclin family protein 0.0035 0.6419 0.0934
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.004 1 1
Echinococcus multilocularis cyclins 0.0035 0.6419 0.0934
Schistosoma mansoni cyclin B 0.0035 0.6419 0.0934
Onchocerca volvulus 0.0035 0.6419 0.5
Leishmania major protein kinase A catalytic subunit isoform 1 0.004 1 1
Leishmania major protein kinase A catalytic subunit 0.004 1 1
Schistosoma mansoni serine/threonine protein kinase 0.004 1 1
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.004 0.9654 0.9125
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.004 1 0.5
Entamoeba histolytica cyclin family protein 0.0035 0.6419 0.0934
Brugia malayi Cyclin, N-terminal domain containing protein 0.0035 0.6419 0.0934
Brugia malayi Cyclin, N-terminal domain containing protein 0.0035 0.6419 0.0934
Echinococcus granulosus cyclins 0.0035 0.6419 0.0934
Echinococcus multilocularis cyclins 0.0035 0.6419 0.0934
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.004 1 1
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.004 1 1
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.004 1 1
Toxoplasma gondii AGC kinase 0.004 1 1
Echinococcus granulosus cyclin B3 1 0.0035 0.6419 0.0934
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.004 1 1
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.004 1 1
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.004 1 1
Schistosoma mansoni serine/threonine protein kinase 0.004 1 1
Echinococcus multilocularis cyclin B 0.0035 0.6419 0.0934
Echinococcus multilocularis cyclins 0.0035 0.6419 0.0934
Trichomonas vaginalis AGC family protein kinase 0.004 1 1
Echinococcus granulosus cyclin b3 0.0035 0.6419 0.0934
Brugia malayi Cyclin, N-terminal domain containing protein 0.0035 0.6419 0.0934
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0035 0.6419 0.0934
Echinococcus multilocularis cyclin B3 1 0.0035 0.6419 0.0934
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.004 1 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.004 1 1
Schistosoma mansoni serine/threonine protein kinase 0.004 1 1
Echinococcus multilocularis cyclins 0.0035 0.6419 0.0934
Echinococcus granulosus cyclin B 0.0035 0.6419 0.0934
Loa Loa (eye worm) AGC/PKA protein kinase 0.004 1 1
Toxoplasma gondii AGC kinase 0.004 1 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 0 % Inhibition of the binding of [3H]-LSD on rat 5-HT7R in HEK-293 cells at concentration of 10e-8 M ChEMBL. 16002287
Inhibition (binding) = 0 % Inhibition of the binding of [3H]-LSD on rat 5-HT7R in HEK-293 cells at concentration of 10e-8 M ChEMBL. 16002287
Inhibition (binding) = 6 % Inhibition of the binding of [3H]-LSD on rat 5-HT7R in HEK-293 cells at concentration of 10e-6 M ChEMBL. 16002287
Inhibition (binding) = 6 % Inhibition of the binding of [3H]-LSD on rat 5-HT7R in HEK-293 cells at concentration of 10e-6 M ChEMBL. 16002287
Ki (binding) 0 nM Binding affinity against rat 5-HT7R expressed in HEK-293 cells; ND = not determined ChEMBL. 16002287

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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