Detailed information for compound 1491962

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 399.409 | Formula: C22H20F3N3O
  • H donors: 1 H acceptors: 1 LogP: 5.47 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(c1ccccc1c1ccc2c(c1)nc([nH]2)C1=NC2(CO1)CCCCC2)(F)F
  • InChi: 1S/C22H20F3N3O/c23-22(24,25)16-7-3-2-6-15(16)14-8-9-17-18(12-14)27-19(26-17)20-28-21(13-29-20)10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,26,27)
  • InChiKey: GDGLSBUBONLKDB-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
Canis familiaris Transient receptor potential M8 protein Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus transient receptor potential cation channel Transient receptor potential M8 protein   1104 aa 1114 aa 24.9 %
Schistosoma mansoni transient receptor potential cation channel subfamily m member Transient receptor potential M8 protein   1104 aa 1075 aa 25.3 %
Echinococcus multilocularis transient receptor potential cation channel Transient receptor potential M8 protein   1104 aa 1108 aa 25.5 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) calcium channel 0.0314 0.5525 1
Echinococcus granulosus voltage dependent calcium channel 0.0314 0.5525 0.6677
Loa Loa (eye worm) hypothetical protein 0.0314 0.5525 1
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0113 0 0.5
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0113 0 0.5
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0477 1 1
Echinococcus granulosus protoporphyrinogen oxidase 0.0414 0.8274 1
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0314 0.5525 0.5
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0477 1 0.5
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0314 0.5525 0.6677
Echinococcus multilocularis protoporphyrinogen oxidase 0.0477 1 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0477 1 0.5
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0314 0.5525 0.6677
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.0414 0.8274 0.5
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0314 0.5525 0.6677
Toxoplasma gondii transporter, cation channel family protein 0.0113 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 6 nM Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay ChEMBL. 21128593

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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