Detailed information for compound 1795204

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 366.497 | Formula: C23H30N2O2
  • H donors: 1 H acceptors: 1 LogP: 4.14 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(C(=O)c1ccccc1OCc1ccccc1)[C@@H]1CCC[C@@H](C1)N
  • InChi: 1S/C23H30N2O2/c1-2-15-25(20-12-8-11-19(24)16-20)23(26)21-13-6-7-14-22(21)27-17-18-9-4-3-5-10-18/h3-7,9-10,13-14,19-20H,2,8,11-12,15-17,24H2,1H3/t19-,20+/m0/s1
  • InChiKey: LLGUPACHQWNHJG-VQTJNVASSA-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 M, member 8 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 cation channel, subfamily M, member 8 1104 aa 1115 aa 24.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Leishmania major C-8 sterol isomerase-like protein 0.0368 0.1037 0.3091
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0125 0 0.5
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.091 0.3354 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.091 0.3354 1
Leishmania major fk506-binding protein 1-like protein 0.091 0.3354 1
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.091 0.3354 0.3354
Trypanosoma brucei C-8 sterol isomerase, putative 0.0368 0.1037 0.3091
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0125 0 0.5
Echinococcus granulosus gamma secretase subunit aph 1 0.049 0.156 0.4545
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0803 0.2897 0.8441
Onchocerca volvulus 0.0125 0 0.5
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0125 0 0.5
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0928 0.3432 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0928 0.3432 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.091 0.3354 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.091 0.3354 1
Onchocerca volvulus 0.0125 0 0.5
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.049 0.156 0.4652
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.091 0.3354 1
Trichomonas vaginalis immunophilin, putative 0.091 0.3354 1
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0144 0.0079 0.023
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.091 0.3354 1
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0125 0 0.5
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0125 0 0.5
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.091 0.3354 1
Echinococcus multilocularis fk506 binding protein 0.091 0.3354 0.977
Loa Loa (eye worm) hypothetical protein 0.0368 0.1037 0.3091
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.091 0.3354 1
Loa Loa (eye worm) FKBP5 protein 0.091 0.3354 1
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0125 0 0.5
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0803 0.2897 0.8441
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0125 0 0.5
Trypanosoma cruzi Aph-1 protein, putative 0.0191 0.0281 0.0839
Leishmania major peptidylprolyl isomerase-like protein 0.091 0.3354 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.091 0.3354 0.977
Echinococcus multilocularis gamma secretase subunit aph 1 0.049 0.156 0.4545
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.091 0.3354 1
Trichomonas vaginalis fk506-binding protein, putative 0.091 0.3354 1
Schistosoma mansoni immunophilin 0.0928 0.3432 0.3432
Brugia malayi gamma-secretase subunit aph-1 0.049 0.156 0.4652
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0125 0 0.5
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.091 0.3354 1
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.091 0.3354 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0928 0.3432 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.091 0.3354 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0928 0.3432 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.091 0.3354 1
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.091 0.3354 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.091 0.3354 1
Schistosoma mansoni immunophilin 0.0803 0.2897 0.2897
Trypanosoma cruzi Aph-1 protein, putative 0.0191 0.0281 0.0839
Schistosoma mansoni immunophilin 0.0928 0.3432 0.3432
Schistosoma mansoni gamma-secretase subunit aph-1 0.049 0.156 0.156
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0125 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0188 0.0268 0.08
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.091 0.3354 1
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0448 0.138 0.138
Trypanosoma brucei Aph-1 protein, putative 0.0191 0.0281 0.0839
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.091 0.3354 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0368 0.1037 0.3091
Loa Loa (eye worm) hypothetical protein 0.0785 0.2819 0.8405
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0368 0.1037 0.3091

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1230 nM Inhibition of human TRPM8 (unknown origin) expressed in HEK293 cells assessed as inhibition of WS12-induced Ca2+ elevation by FLIPR assay ChEMBL. 24080460
Kb (binding) = 1430 nM Inhibition of human TRPM8 (unknown origin) expressed in HEK293 cells assessed as inhibition of WS12-induced Ca2+ elevation by FLIPR assay ChEMBL. 24080460

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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