Detailed information for compound 1740816

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 368.428 | Formula: C24H20N2O2
  • H donors: 2 H acceptors: 2 LogP: 4.34 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc2c(c1)c1CCN(Cc1[nH]2)C(=O)c1ccc(cc1)c1ccccc1
  • InChi: 1S/C24H20N2O2/c27-19-10-11-22-21(14-19)20-12-13-26(15-23(20)25-22)24(28)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-11,14,25,27H,12-13,15H2
  • InChiKey: IJNSBNQHKKYWOY-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 transient receptor potential cation channel, subfamily V, member 1 Starlite/ChEMBL References
Rattus norvegicus Transient receptor potential cation channel subfamily A member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus transient receptor potential cation channel Get druggable targets OG5_132409 All targets in OG5_132409
Echinococcus multilocularis ankyrin repeat protein Get druggable targets OG5_132409 All targets in OG5_132409
Schistosoma japonicum Transient receptor potential cation channel subfamily A member 1, putative Get druggable targets OG5_132409 All targets in OG5_132409
Echinococcus granulosus ankyrin repeat protein Get druggable targets OG5_132409 All targets in OG5_132409
Schistosoma japonicum Transient receptor potential cation channel subfamily A member 1, putative Get druggable targets OG5_132409 All targets in OG5_132409
Schistosoma japonicum ko:K04984 transient receptor potential cation channel, subfamily A, member 1, putative Get druggable targets OG5_132409 All targets in OG5_132409
Schistosoma japonicum Transient receptor potential cation channel subfamily A member 1, putative Get druggable targets OG5_132409 All targets in OG5_132409
Schistosoma mansoni transient receptor potential cation channel subfamily A member Get druggable targets OG5_132409 All targets in OG5_132409
Echinococcus multilocularis transient receptor potential cation channel Get druggable targets OG5_132409 All targets in OG5_132409

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
Onchocerca volvulus Matrilysin homolog 0.0133 0.4375 1
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0218 0.9469 1
Treponema pallidum polypeptide deformylase (def) 0.0227 1 0.5
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0073 0.0783 0.1537
Leishmania major polypeptide deformylase-like protein, putative 0.0086 0.1594 0.5
Schistosoma mansoni hypothetical protein 0.0085 0.1501 0.1894
Trypanosoma brucei Polypeptide deformylase 1 0.0086 0.1594 0.5
Toxoplasma gondii hypothetical protein 0.0227 1 1
Echinococcus multilocularis transient receptor potential cation channel 0.0196 0.8179 0.1635
Plasmodium vivax peptide deformylase, putative 0.0227 1 1
Schistosoma mansoni cathepsin D (A01 family) 0.0118 0.3518 0.4438
Echinococcus granulosus transient receptor potential cation channel 0.0196 0.8161 0.152
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0227 1 1
Loa Loa (eye worm) matrixin family protein 0.0145 0.5094 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0086 0.1594 0.5
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0227 1 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0086 0.1594 0.5
Onchocerca volvulus Matrix metalloproteinase homolog 0.0133 0.4375 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0086 0.1594 0.5
Schistosoma mansoni cathepsin D (A01 family) 0.0118 0.3518 0.4438
Loa Loa (eye worm) hypothetical protein 0.0073 0.0783 0.1537
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0218 0.9469 1
Brugia malayi Matrixin family protein 0.0145 0.5094 1
Loa Loa (eye worm) matrixin family protein 0.0133 0.4375 0.859
Onchocerca volvulus 0.0085 0.1501 0.3431
Trypanosoma brucei Peptide deformylase 2 0.0086 0.1594 0.5
Plasmodium falciparum peptide deformylase 0.0227 1 1
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0227 1 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0086 0.1594 0.5
Mycobacterium ulcerans peptide deformylase 0.0227 1 1
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0192 0.7927 1
Brugia malayi Hemopexin family protein 0.0085 0.1501 0.2947

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 4.09 uM Agonist activity at rat TRPA1 overexpressed in HEK293 cells assessed as increase in allyl isothiocyanate-induced intracellular Ca2+ level by Fluo-4 based spectrofluorimetric analysis ChEMBL. 23206861
EC50 (binding) = 6.42 uM Agonist activity at human TRPV1 overexpressed in HEK293 cells assessed as increase in ionomycin-induced intracellular Ca2+ level by Fluo-4 based spectrofluorimetric analysis ChEMBL. 23206861
Efficacy (binding) = 49 % Agonist activity at human TRPV1 overexpressed in HEK293 cells assessed as increase in ionomycin-induced intracellular Ca2+ level by Fluo-4 based spectrofluorimetric analysis relative to control ChEMBL. 23206861
Efficacy (binding) = 83.5 % Agonist activity at rat TRPA1 overexpressed in HEK293 cells assessed as increase in allyl isothiocyanate-induced intracellular Ca2+ level by Fluo-4 based spectrofluorimetric analysis relative to control ChEMBL. 23206861
IC50 (binding) = 3.13 uM Antagonist activity at human TRPV1 overexpressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level incubated for 5 mins prior to capsaicin addition by Fluo-4 based spectrofluorimetric analysis ChEMBL. 23206861
IC50 (binding) = 12.9 uM Antagonist activity at rat TRPA1 overexpressed in HEK293 cells assessed as inhibition of allyl isothiocyanate-induced intracellular Ca2+ level incubated for 5 mins prior to allyl isothiocyanate addition by Fluo-4 based spectrofluorimetric analysis ChEMBL. 23206861
IC50 (binding) > 50 uM Inhibition of FAAH in rat brain homogenates using [14C]anandamide as substrate assessed as formation of [14C]ethanolamine after 30 mins by scintillation counting analysis ChEMBL. 23206861

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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