Detailed information for compound 1176731

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 336.471 | Formula: C22H28N2O
  • H donors: 0 H acceptors: 1 LogP: 5.14 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1c(nc2c1cccc2C(C)C)c1ccc(cc1)C(C)C
  • InChi: 1S/C22H28N2O/c1-15(2)17-9-11-18(12-10-17)22-23-21-19(16(3)4)7-6-8-20(21)24(22)13-14-25-5/h6-12,15-16H,13-14H2,1-5H3
  • InChiKey: ATQVFYJQUOHYPA-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 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
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0075 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0264 0.0264
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0995 0.4694
Schistosoma mansoni hypothetical protein 0.0175 0.516 0.516
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0075 1
Leishmania major importin beta-1 subunit, putative 0.0024 0.0075 1
Schistosoma mansoni importin beta-1 0.003 0.0266 0.0266
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0266 1
Echinococcus multilocularis geminin 0.0175 0.516 0.516
Echinococcus granulosus geminin 0.0175 0.516 0.516
Loa Loa (eye worm) hypothetical protein 0.0035 0.0446 0.0446
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0446 0.2104
Echinococcus multilocularis importin subunit beta 1 0.003 0.0266 0.0266
Brugia malayi Importin beta-1 subunit 0.003 0.0266 0.1253
Schistosoma mansoni hypothetical protein 0.0175 0.516 0.516
Plasmodium falciparum importin beta, putative 0.003 0.0266 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0995 0.4694
Echinococcus granulosus importin subunit beta 1 0.003 0.0266 0.0266
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0075 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0266 0.0266
Plasmodium vivax importin-beta 2, putative 0.003 0.0266 1
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0266 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0075 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0995 0.0995
Echinococcus multilocularis metabotropic glutamate receptor 5 0.003 0.0264 0.0264
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0266 1
Loa Loa (eye worm) glutamate receptor 0.0024 0.007 0.007
Brugia malayi metabotropic glutamate receptor type 2 0.003 0.0264 0.1244
Schistosoma mansoni metabotropic glutamate receptor 0.02 0.6003 0.6003
Brugia malayi RNA, U transporter 1 0.0085 0.2121 1
Entamoeba histolytica hypothetical protein 0.0024 0.0075 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.003 0.0264 0.0264
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0995 0.0995
Schistosoma mansoni hypothetical protein 0.0035 0.0446 0.0446
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0024 0.007 0.007

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.95 uM Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization ChEMBL. 20685119

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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