Detailed information for compound 1760037

Basic information

Technical information
  • TDR Targets ID: 1760037
  • Name: 1-[3,3-di(phenyl)propyl]-1-(2-morpholin-4-yle thyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea
  • MW: 510.627 | Formula: C31H34N4O3
  • H donors: 1 H acceptors: 2 LogP: 4.62 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1)Nc1cccc(c1)c1ocnc1
  • InChi: 1S/C31H34N4O3/c36-31(33-28-13-7-12-27(22-28)30-23-32-24-38-30)35(17-16-34-18-20-37-21-19-34)15-14-29(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-13,22-24,29H,14-21H2,(H,33,36)
  • InChiKey: BAJDIRUBEAHUOL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[3,3-di(phenyl)propyl]-1-(2-morpholinoethyl)-3-(3-oxazol-5-ylphenyl)urea
  • 1-[3,3-di(phenyl)propyl]-1-(2-morpholinoethyl)-3-[3-(5-oxazolyl)phenyl]urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens calcium-sensing receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni metabotropic glutamate receptor Get druggable targets OG5_127276 All targets in OG5_127276
Schistosoma japonicum Metabotropic glutamate receptor 7 precursor, putative Get druggable targets OG5_127276 All targets in OG5_127276
Schistosoma japonicum Metabotropic glutamate receptor 7 precursor, putative Get druggable targets OG5_127276 All targets in OG5_127276
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
Plasmodium falciparum proteasome subunit beta type-5 0.0239 1 1
Brugia malayi metabotropic glutamate receptor type 2 0.003 0.053 0.053
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0239 1 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0239 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0239 1 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.003 0.053 0.053
Echinococcus multilocularis proteasome (prosome, macropain) 0.0239 1 1
Onchocerca volvulus Notchless protein homolog 0.0018 0 0.5
Schistosoma mansoni metabotropic glutamate receptor 0.02 0.8218 0.8218
Leishmania major proteasome beta 5 subunit, putative 0.0239 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0018 0 0.5
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0239 1 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0239 1 1
Mycobacterium ulcerans proteasome PrcB 0.0239 1 1
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0239 1 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0239 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0239 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0239 1 1
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0239 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.053 0.053
Echinococcus granulosus proteasome prosome macropain 0.0239 1 1
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0239 1 1
Loa Loa (eye worm) glutamate receptor 0.0024 0.0271 0.0271
Plasmodium vivax proteasome subunit beta type-5, putative 0.0239 1 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0024 0.0271 0.0271
Echinococcus granulosus metabotropic glutamate receptor 5 0.003 0.053 0.053

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 0.06 uM Positive allosteric modulation of human CaSR transfected in CHO cells after 5 hrs by luciferase reporter gene assay ChEMBL. 23465611
Inhibition (binding) = 73 % Inhibition of human ERG at 1 uM by patch clamp assay relative to control ChEMBL. 23465611

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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