Detailed information for compound 1524827

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 473.049 | Formula: C30H33ClN2O
  • H donors: 2 H acceptors: 0 LogP: 6.96 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)cc(c1)C1=C(OCCC2CCCCN2)c2c(NC1)cc(c(c2)c1ccccc1)Cl
  • InChi: 1S/C30H33ClN2O/c1-20-14-21(2)16-23(15-20)27-19-33-29-18-28(31)25(22-8-4-3-5-9-22)17-26(29)30(27)34-13-11-24-10-6-7-12-32-24/h3-5,8-9,14-18,24,32-33H,6-7,10-13,19H2,1-2H3
  • InChiKey: MRYYDCIBVWPZNW-UHFFFAOYSA-N  


Substructure search Similarity search

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 somatostatin receptor 2 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
Echinococcus granulosus pyroglutamylated rfamide peptide receptor somatostatin receptor 2 369 aa 411 aa 18.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi amine oxidase, flavin-containing family protein 0.0179 0.096 0.096
Loa Loa (eye worm) hypothetical protein 0.0621 0.904 0.904
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0126 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0126 0 0.5
Mycobacterium ulcerans monoamine oxidase 0.0126 0 0.5
Leishmania major UDP-galactopyranose mutase 0.0126 0 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0126 0 0.5
Chlamydia trachomatis protoporphyrinogen oxidase 0.0126 0 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0126 0 0.5
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0126 0 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0126 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0126 0 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0126 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0621 0.904 0.904
Mycobacterium ulcerans dehydrogenase 0.0126 0 0.5
Plasmodium falciparum protoporphyrinogen oxidase 0.0126 0 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0126 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0674 1 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0621 0.904 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0126 0 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0621 0.904 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.096 0.096
Mycobacterium tuberculosis Possible oxidoreductase 0.0126 0 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0126 0 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0126 0 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0126 0 0.5
Mycobacterium ulcerans oxidoreductase 0.0126 0 0.5
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0126 0 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0126 0 0.5
Onchocerca volvulus 0.0674 1 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0621 0.904 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 7.6 nM Agonist activity at human SST2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP release after 40 mins by luminescence assay ChEMBL. 21395312
Ki (binding) = 0.18 nM Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting ChEMBL. 21395312

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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