Detailed information for compound 1757243

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 422.904 | Formula: C24H23ClN2O3
  • H donors: 2 H acceptors: 2 LogP: 5.17 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cc(ccc1Cl)NC(=O)NCCC(c1ccccc1)c1ccccc1
  • InChi: 1S/C24H23ClN2O3/c1-30-23(28)21-16-19(12-13-22(21)25)27-24(29)26-15-14-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,16,20H,14-15H2,1H3,(H2,26,27,29)
  • InChiKey: SANVEQFWSJBIOP-UHFFFAOYSA-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
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 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
Schistosoma mansoni metabotropic glutamate receptor 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
Loa Loa (eye worm) hypothetical protein 0.0069 0.1171 0.1171
Loa Loa (eye worm) hypothetical protein 0.0409 1 1
Echinococcus granulosus para nitrobenzyl esterase 0.0069 0.1171 0.1037
Echinococcus granulosus acetylcholinesterase 0.0409 1 1
Loa Loa (eye worm) carboxylesterase 0.0409 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0149 0.0149
Schistosoma mansoni neuroligin 3 (S09 family) 0.0069 0.1171 0.1171
Echinococcus granulosus neuroligin 0.0069 0.1171 0.1037
Echinococcus multilocularis carboxylesterase 5A 0.0409 1 1
Onchocerca volvulus 0.0069 0.1171 0.5
Echinococcus granulosus carboxylesterase 5A 0.0409 1 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.1171 0.1171
Echinococcus multilocularis neuroligin 0.0069 0.1171 0.1037
Echinococcus multilocularis acetylcholinesterase 0.0409 1 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0069 0.1171 0.1037
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0069 0.1171 0.1171
Loa Loa (eye worm) hypothetical protein 0.0069 0.1171 0.1171
Mycobacterium tuberculosis Carboxylesterase LipT 0.0069 0.1171 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.1171 0.1171
Schistosoma mansoni BC026374 protein (S09 family) 0.0069 0.1171 0.1171
Echinococcus multilocularis BC026374 protein (S09 family) 0.0069 0.1171 0.1037
Loa Loa (eye worm) hypothetical protein 0.0069 0.1171 0.1171
Echinococcus granulosus BC026374 protein S09 family 0.0069 0.1171 0.1037
Echinococcus granulosus acetylcholinesterase 0.0409 1 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0069 0.1171 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.1171 0.1171
Loa Loa (eye worm) carboxylesterase 0.0069 0.1171 0.1171
Echinococcus multilocularis para nitrobenzyl esterase 0.0069 0.1171 0.1037
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0069 0.1171 0.1037
Mycobacterium ulcerans carboxylesterase, LipT 0.0069 0.1171 0.5
Onchocerca volvulus 0.0069 0.1171 0.5
Onchocerca volvulus 0.0069 0.1171 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0409 1 1
Schistosoma mansoni gliotactin 0.0069 0.1171 0.1171
Schistosoma mansoni acetylcholinesterase 0.0069 0.1171 0.1171
Onchocerca volvulus 0.0069 0.1171 0.5
Loa Loa (eye worm) hypothetical protein 0.0409 1 1
Brugia malayi Carboxylesterase family protein 0.0069 0.1171 0.1037
Brugia malayi Carboxylesterase family protein 0.0069 0.1171 0.1037
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0069 0.1171 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0069 0.1171 0.1171
Loa Loa (eye worm) hypothetical protein 0.0069 0.1171 0.1171
Echinococcus multilocularis acetylcholinesterase 0.0409 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0409 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0069 0.1171 0.5
Brugia malayi Carboxylesterase family protein 0.0409 1 1
Brugia malayi hypothetical protein 0.0069 0.1171 0.1037
Schistosoma mansoni metabotropic glutamate receptor 0.02 0.4571 0.4571
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0069 0.1171 0.1171
Loa Loa (eye worm) carboxylesterase 0.0069 0.1171 0.1171
Onchocerca volvulus 0.0069 0.1171 0.5
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0069 0.1171 0.5
Brugia malayi Carboxylesterase family protein 0.0069 0.1171 0.1037
Brugia malayi Carboxylesterase family protein 0.0069 0.1171 0.1037

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 2 uM Positive allosteric modulation of human CaSR transfected in CHO cells after 5 hrs by luciferase reporter gene assay 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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