Detailed information for compound 1735585

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 428.876 | Formula: C21H24ClF3N2O2
  • H donors: 1 H acceptors: 1 LogP: 4.13 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@@H](CN1CCN(CC1)Cc1ccc(cc1)Cl)COc1ccc(cc1)C(F)(F)F
  • InChi: 1S/C21H24ClF3N2O2/c22-18-5-1-16(2-6-18)13-26-9-11-27(12-10-26)14-19(28)15-29-20-7-3-17(4-8-20)21(23,24)25/h1-8,19,28H,9-15H2/t19-/m0/s1
  • InChiKey: VKVZFLVANUHINZ-IBGZPJMESA-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 channel, voltage-dependent, T type, alpha 1G subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_129328 All targets in OG5_129328
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129328 All targets in OG5_129328
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog Get druggable targets OG5_129328 All targets in OG5_129328

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
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0596 1 1
Loa Loa (eye worm) hypothetical protein 0.035 0.4584 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0565 0.9326 0.9122
Entamoeba histolytica cdc48-like protein, putative 0.0565 0.9326 0.5
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0596 1 1
Mycobacterium tuberculosis Putative conserved ATPase 0.0357 0.4742 0.5
Brugia malayi valosin containing protein 0.035 0.4584 1
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.0565 0.9326 1
Giardia lamblia AAA family ATPase 0.0357 0.4742 0.5
Trypanosoma cruzi Valosin-containing protein, putative 0.0565 0.9326 0.5
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.0565 0.9326 0.5
Trypanosoma brucei Valosin-containing protein 0.0565 0.9326 0.5
Brugia malayi transitional endoplasmic reticulum ATPase TER94, putative 0.0246 0.232 0.2386
Toxoplasma gondii cell division protein CDC48AP 0.0357 0.4742 0.0000097958
Loa Loa (eye worm) vesicle-fusing ATPase 0.035 0.4584 1
Toxoplasma gondii cell division protein CDC48CY 0.0596 1 1
Mycobacterium ulcerans ATPase 0.0357 0.4742 0.5
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.0565 0.9326 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0208 0.1481 0.1481
Trichomonas vaginalis spermatogenesis associated factor, putative 0.0596 1 1
Brugia malayi vesicle-fusing ATPase 0.035 0.4584 1
Loa Loa (eye worm) VCP protein 0.0246 0.232 0.2386
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.0565 0.9326 0.5
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.0596 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.23 uM Inhibition of alpha-1G calcium channel in human HEK293 cells by whole-cell patch-clamp method ChEMBL. 23395659
Inhibition (binding) = 56.57 % Inhibition of alpha-1G calcium channel in human HEK293 cells at 10 uM by whole-cell patch-clamp method ChEMBL. 23395659

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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