Detailed information for compound 458460

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 390.521 | Formula: C24H30N4O
  • H donors: 0 H acceptors: 2 LogP: 3.03 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1C[C@@H](C[C@H]2[C@H]1Cc1ccccc1C2)C(=O)N1CCN(CC1)c1ccccn1
  • InChi: 1S/C24H30N4O/c1-26-17-21(15-20-14-18-6-2-3-7-19(18)16-22(20)26)24(29)28-12-10-27(11-13-28)23-8-4-5-9-25-23/h2-9,20-22H,10-17H2,1H3/t20-,21+,22+/m0/s1
  • InChiKey: AGOCNFSXCAGJEC-BHDDXSALSA-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
Rattus norvegicus Somatostatin receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Somatostatin receptor 1   391 aa 327 aa 22.9 %
Brugia malayi GnHR receptor homolog Somatostatin receptor 1   391 aa 349 aa 20.3 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Somatostatin receptor 1   391 aa 343 aa 26.2 %
Onchocerca volvulus Phospholipase d-related homolog Somatostatin receptor 1   391 aa 334 aa 21.3 %
Onchocerca volvulus Somatostatin receptor 1   391 aa 396 aa 25.3 %
Echinococcus multilocularis neuropeptide receptor Somatostatin receptor 1   391 aa 346 aa 26.9 %
Echinococcus granulosus allatostatin A receptor Somatostatin receptor 1   391 aa 321 aa 31.5 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Somatostatin receptor 1   391 aa 416 aa 23.6 %
Echinococcus granulosus neuropeptide receptor Somatostatin receptor 1   391 aa 364 aa 26.4 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Somatostatin receptor 1   391 aa 319 aa 24.8 %
Echinococcus granulosus thyrotropin releasing hormone receptor Somatostatin receptor 1   391 aa 320 aa 23.4 %
Echinococcus multilocularis allatostatin A receptor Somatostatin receptor 1   391 aa 321 aa 31.5 %
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor Somatostatin receptor 1   391 aa 388 aa 20.9 %
Schistosoma japonicum Rhodopsin, putative Somatostatin receptor 1   391 aa 318 aa 22.0 %
Onchocerca volvulus Somatostatin receptor 1   391 aa 325 aa 22.5 %
Onchocerca volvulus Somatostatin receptor 1   391 aa 320 aa 22.5 %
Echinococcus granulosus pyroglutamylated rfamide peptide receptor Somatostatin receptor 1   391 aa 368 aa 21.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0017 0 0.5
Leishmania major hypothetical protein, unknown function 0.0017 0 0.5
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0017 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0017 0 0.5
Onchocerca volvulus 0.0017 0 0.5
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 1 1
Echinococcus multilocularis transient receptor potential cation channel 0.0018 1 1
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0017 0 0.5
Echinococcus granulosus short transient receptor potential channel 6 0.0018 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0017 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0017 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0017 0 0.5
Toxoplasma gondii transporter, cation channel family protein 0.0017 0 0.5
Echinococcus granulosus transient receptor potential cation channel 0.0018 1 1
Schistosoma mansoni transient receptor potential channel 0.0018 1 1
Toxoplasma gondii transporter, cation channel family protein 0.0017 0 0.5
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0017 0 0.5
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0017 0 0.5
Toxoplasma gondii hypothetical protein 0.0017 0 0.5
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0017 0 0.5
Toxoplasma gondii transporter, cation channel family protein 0.0017 0 0.5
Echinococcus multilocularis transient receptor potential cation channel 0.0018 1 1
Toxoplasma gondii hypothetical protein 0.0017 0 0.5
Echinococcus multilocularis short transient receptor potential channel 6 0.0018 1 1
Leishmania major hypothetical protein, conserved 0.0017 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Kd (binding) = 4.49 Displacement of [125I]SRIF14 from sst2 receptor in rat brain cortex membrane ChEMBL. 17507221
Kd (binding) = 6.8 Displacement of [125I]SRIF14 from sst1 receptor in rat brain cortex membrane ChEMBL. 17507221
pKd (binding) = 4.49 Displacement of [125I]SRIF14 from sst2 receptor in rat brain cortex membrane ChEMBL. 17507221
pKd (binding) = 6.8 Displacement of [125I]SRIF14 from sst1 receptor in rat brain cortex membrane ChEMBL. 17507221

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.