Detailed information for compound 1765213

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 436.348 | Formula: C19H18F6N2O3
  • H donors: 0 H acceptors: 3 LogP: 4.19 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC(=O)N(C(=O)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C1CCCC1
  • InChi: 1S/C19H18F6N2O3/c20-18(21,22)12-7-11(8-13(9-12)19(23,24)25)5-6-26-15(28)10-16(29)27(17(26)30)14-3-1-2-4-14/h7-9,14H,1-6,10H2
  • InChiKey: MSWVJSGZYLTDHF-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
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1D subunit Starlite/ChEMBL References
Oryctolagus cuniculus Voltage-gated L-type calcium channel alpha-1C subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Voltage-dependent N-type calcium channel subunit alpha-1B, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni high voltage-activated calcium channel Cav2A Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type D subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type D subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Probable voltage-dependent R-type calcium channel subunit alpha-1E, putative Get druggable targets OG5_126791 All targets in OG5_126791
Trypanosoma brucei gambiense calcium channel protein, putative Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) voltage-dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Muscle calcium channel subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Trypanosoma congolense Voltage-dependent calcium channel subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Toxoplasma gondii transporter, cation channel family protein Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel type d subunit Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni high voltage-activated calcium channel Cav1 Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04853 calcium channel, voltage-dependent, L type, alpha 1F subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04344 calcium channel, voltage-dependent, P/Q type, alpha 1A subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent L type calcium channel subunit Get druggable targets OG5_126791 All targets in OG5_126791
Neospora caninum hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type A subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Toxoplasma gondii hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent L type calcium channel subunit Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum expressed protein Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type A subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum expressed protein Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel type d subunit Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni voltage-gated cation channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04849 calcium channel, voltage-dependent, N type, alpha 1B subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04850 calcium channel, voltage-dependent, L type, alpha 1C subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791

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 0.0384 0.8983 0.8983
Loa Loa (eye worm) hypothetical protein 0.0384 0.8983 0.8983
Echinococcus granulosus voltage dependent calcium channel 0.0186 0.3413 0.3749
Brugia malayi Fibronectin type III domain containing protein 0.0388 0.9102 0.8637
Loa Loa (eye worm) TK/KIN16 protein kinase 0.042 1 1
Loa Loa (eye worm) hypothetical protein 0.0388 0.9102 0.9102
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0186 0.3413 0.3749
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0065 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0384 0.8983 0.8983
Loa Loa (eye worm) hypothetical protein 0.0186 0.3413 0.3413
Toxoplasma gondii transporter, cation channel family protein 0.0065 0 0.5
Echinococcus granulosus defective proboscis extension response 0.0384 0.8983 0.9869
Loa Loa (eye worm) hypothetical protein 0.0384 0.8983 0.8983
Loa Loa (eye worm) hypothetical protein 0.0388 0.9102 0.9102
Echinococcus granulosus neuroglian 0.0384 0.8983 0.9869
Loa Loa (eye worm) hypothetical protein 0.0384 0.8983 0.8983
Schistosoma mansoni nephrin 0.0388 0.9102 0.9827
Loa Loa (eye worm) calcium channel 0.0186 0.3413 0.3413
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0384 0.8983 0.9869
Echinococcus multilocularis roundabout 2 0.0388 0.9102 1
Echinococcus granulosus Immunoglobulin 0.0384 0.8983 0.9869
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0384 0.8983 0.962
Brugia malayi hypothetical protein 0.0388 0.9102 0.8637
Echinococcus multilocularis Immunoglobulin 0.0384 0.8983 0.979
Brugia malayi Immunoglobulin I-set domain containing protein 0.0388 0.9102 0.8637
Schistosoma mansoni vesicular amine transporter 0.0392 0.9203 1
Echinococcus granulosus roundabout 2 0.0388 0.9102 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0186 0.3413 0.3749
Schistosoma mansoni cell adhesion molecule 0.0388 0.9102 0.9827
Echinococcus granulosus twitchin 0.0384 0.8983 0.9869
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0065 0 0.5
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0384 0.8983 0.979
Loa Loa (eye worm) hypothetical protein 0.0388 0.9102 0.9102
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0384 0.8983 0.962
Loa Loa (eye worm) hypothetical protein 0.0384 0.8983 0.8983
Echinococcus multilocularis neuroglian 0.0384 0.8983 0.979
Echinococcus multilocularis Immunoglobulin 0.0384 0.8983 0.979
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0186 0.3413 0.3749

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.4 uM Antagonist activity at rat CaV1.3alpha1D transfected in HEK293 cells by FLIPR assay ChEMBL. 23651412
IC50 (binding) = 2.6 uM Antagonist activity at rabbit CaV1.2alpha1C transfected in HEK293 cells by FLIPR assay ChEMBL. 23651412

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

No literature references available for this target.

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