Detailed information for compound 1760047

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 476.894 | Formula: C25H21ClF4N2O
  • H donors: 1 H acceptors: 1 LogP: 6.76 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)NC(C(=O)N1CCCC1c1ccccc1Cl)c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C25H21ClF4N2O/c26-21-8-2-1-7-20(21)22-9-4-14-32(22)24(33)23(31-19-6-3-5-18(27)15-19)16-10-12-17(13-11-16)25(28,29)30/h1-3,5-8,10-13,15,22-23,31H,4,9,14H2
  • InChiKey: ZESXQVRBWGQNPS-UHFFFAOYSA-N  


Substructure search Similarity search

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 multilocularis transient receptor potential cation channel Transient receptor potential M8 protein   1104 aa 1108 aa 25.5 %
Schistosoma mansoni transient receptor potential cation channel subfamily m member Transient receptor potential M8 protein   1104 aa 1075 aa 25.3 %
Echinococcus granulosus transient receptor potential cation channel Transient receptor potential M8 protein   1104 aa 1114 aa 24.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0011 0.0026 0.5
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0011 0.0026 0.0044
Echinococcus multilocularis proteasome (prosome, macropain) 0.0147 0.5987 1
Echinococcus granulosus Proteasome subunit alpha beta 0.0011 0.0026 0.0044
Schistosoma mansoni proteasome subunit alpha 7 (T01 family) 0.0011 0.0026 0.0044
Echinococcus granulosus proteasome subunit beta type 6 0.0011 0.0026 0.0044
Echinococcus multilocularis 20S proteasome subunit alpha 6 0.0011 0.0026 0.0044
Echinococcus granulosus subfamily T1A non peptidase ue 0.0011 0.0026 0.0044
Schistosoma mansoni proteasome subunit alpha 2 (T01 family) 0.0011 0.0026 0.0044
Brugia malayi proteasome subunit alpha type 2 0.0011 0.0026 0.0044
Brugia malayi beta-lactamase family protein 0.0037 0.1178 0.1967
Loa Loa (eye worm) proteasome subunit beta type 1 0.0011 0.0026 0.0044
Schistosoma mansoni proteasome subunit beta 4 (T01 family) 0.0011 0.0026 0.0044
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.1178 0.1931
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0011 0.0026 0.0044
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.1178 0.1931
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0011 0.0026 0.0044
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0011 0.0026 0.0044
Brugia malayi proteasome subunit alpha type 4 0.0011 0.0026 0.0044
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.1178 0.1154
Brugia malayi beta-lactamase 0.0037 0.1178 0.1967
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0011 0.0026 0.0044
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.1178 0.1154
Loa Loa (eye worm) hypothetical protein 0.0037 0.1178 0.1967
Loa Loa (eye worm) proteasome subunit alpha type 1 0.0011 0.0026 0.0044
Plasmodium falciparum proteasome subunit beta type-5 0.0147 0.5987 1
Trichomonas vaginalis esterase, putative 0.0037 0.1178 0.1931
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.1178 0.1931
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0011 0.0026 0.0044
Echinococcus multilocularis proteasome subunit beta type 7 0.0011 0.0026 0.0044
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0147 0.5987 1
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0011 0.0026 0.0044
Onchocerca volvulus 0.0037 0.1178 1
Echinococcus multilocularis Proteasome, subunit alpha beta 0.0011 0.0026 0.0044
Loa Loa (eye worm) proteasome subunit alpha type 3 0.0011 0.0026 0.0044
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.1178 0.1154
Echinococcus multilocularis subfamily T1A non peptidase ue 0.0011 0.0026 0.0044
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0011 0.0026 0.0044
Loa Loa (eye worm) proteasome subunit alpha type 2 0.0011 0.0026 0.0044
Brugia malayi proteasome subunit beta type 2 0.0011 0.0026 0.0044
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0011 0.0026 0.0044
Toxoplasma gondii ABC1 family protein 0.0037 0.1178 0.1931
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.1178 0.1154
Onchocerca volvulus 0.0037 0.1178 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.1178 0.1931
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.1178 0.1931
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0147 0.5987 1
Loa Loa (eye worm) proteasome subunit beta type 2 0.0011 0.0026 0.0044
Mycobacterium tuberculosis Conserved protein 0.0037 0.1178 0.1154
Brugia malayi proteasome subunit beta type 3 0.0011 0.0026 0.0044
Brugia malayi proteasome subunit alpha type 6 0.0011 0.0026 0.0044
Loa Loa (eye worm) hypothetical protein 0.0037 0.1178 0.1967
Brugia malayi 20S proteasome alpha5 subunit 0.0011 0.0026 0.0044
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.1178 0.1931
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0011 0.0026 0.0044
Brugia malayi Proteasome A-type and B-type family protein 0.0011 0.0026 0.0044
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.1178 0.1154
Mycobacterium tuberculosis Conserved protein 0.0037 0.1178 0.1154
Mycobacterium tuberculosis Conserved protein 0.0037 0.1178 0.1154
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.1178 0.1967
Brugia malayi proteasome subunit alpha type 3 0.0011 0.0026 0.0044
Brugia malayi Proteasome subunit alpha type 1 0.0011 0.0026 0.0044
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0011 0.0026 0.0044
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0147 0.5987 1
Echinococcus granulosus proteasome subunit alpha type 2 0.0011 0.0026 0.0044
Leishmania major proteasome beta 5 subunit, putative 0.0147 0.5987 1
Mycobacterium leprae conserved hypothetical protein 0.0037 0.1178 0.1931
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0147 0.5987 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0011 0.0026 0.0044
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0011 0.0026 0.0044
Echinococcus multilocularis proteasome (prosome macropain) subunit beta type 0.0011 0.0026 0.0044
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0011 0.0026 0.0044
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.1178 0.1154
Brugia malayi beta-lactamase family protein 0.0037 0.1178 0.1967
Echinococcus granulosus proteasome prosome macropain 0.0147 0.5987 1
Schistosoma mansoni proteasome subunit alpha 3 (T01 family) 0.0011 0.0026 0.0044
Brugia malayi Proteasome subunit alpha type 7-1 0.0011 0.0026 0.0044
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0011 0.0026 0.0044
Onchocerca volvulus Notchless protein homolog 0.0011 0.0026 0.0224
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.1178 0.1967
Echinococcus granulosus Proteasome subunit alpha type 7 0.0011 0.0026 0.0044
Loa Loa (eye worm) proteasome subunit alpha type 6 0.0011 0.0026 0.0044
Onchocerca volvulus 0.0037 0.1178 1
Plasmodium vivax proteasome subunit beta type-5, putative 0.0147 0.5987 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.1178 0.1931
Echinococcus granulosus proteasome subunit beta t family 0.0011 0.0026 0.0044
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0011 0.0026 0.0044
Plasmodium vivax hypothetical protein, conserved 0.0037 0.1178 0.1931
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0011 0.0026 0.0044
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0147 0.5987 1
Brugia malayi Proteasome A-type and B-type family protein 0.0011 0.0026 0.0044
Brugia malayi proteasome subunit beta type 1 0.0011 0.0026 0.0044
Mycobacterium ulcerans hypothetical protein 0.0037 0.1178 0.1931
Leishmania major hypothetical protein, conserved 0.0037 0.1178 0.1931
Loa Loa (eye worm) beta-lactamase 0.0037 0.1178 0.1967
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0147 0.5987 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.1178 0.1967
Schistosoma mansoni proteasome catalytic subunit 2 (T01 family) 0.0011 0.0026 0.0044
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0011 0.0026 0.0044
Loa Loa (eye worm) hypothetical protein 0.0037 0.1178 0.1967
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.1178 0.1967
Echinococcus multilocularis proteasome subunit alpha type 6 0.0011 0.0026 0.0044
Echinococcus multilocularis proteasome subunit beta type 6 0.0011 0.0026 0.0044
Loa Loa (eye worm) hypothetical protein 0.0037 0.1178 0.1967
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0011 0.0026 0.0044
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0147 0.5987 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0011 0.0026 0.0044
Echinococcus granulosus 20S proteasome subunit alpha 6 0.0011 0.0026 0.0044
Echinococcus multilocularis proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta 0.0011 0.0026 0.0044
Brugia malayi Proteasome A-type and B-type family protein 0.0011 0.0026 0.0044
Echinococcus granulosus proteasome prosome macropain subunit alpha 0.0011 0.0026 0.0044
Loa Loa (eye worm) proteasome subunit beta type 3 0.0011 0.0026 0.0044
Mycobacterium ulcerans lipase LipD 0.0037 0.1178 0.1931
Loa Loa (eye worm) hypothetical protein 0.0037 0.1178 0.1967
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0011 0.0026 0.0044
Schistosoma mansoni proteasome catalytic subunit 1 (T01 family) 0.0011 0.0026 0.0044
Loa Loa (eye worm) PAS-3 protein 0.0011 0.0026 0.0044
Echinococcus multilocularis proteasome (prosome macropain) subunit alpha 0.0011 0.0026 0.0044
Schistosoma mansoni proteasome subunit alpha 4 (T01 family) 0.0011 0.0026 0.0044
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0147 0.5987 0.5977
Loa Loa (eye worm) 20S proteasome alpha5 subunit 0.0011 0.0026 0.0044
Echinococcus granulosus proteasome subunit beta type 7 0.0011 0.0026 0.0044
Toxoplasma gondii proteasome subunit beta type, putative 0.0147 0.5987 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.1178 0.1154
Brugia malayi Proteasome A-type and B-type family protein 0.0147 0.5987 1
Mycobacterium ulcerans proteasome PrcB 0.0147 0.5987 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.1178 0.1967
Echinococcus granulosus proteasome prosome macropain subunit beta type 0.0011 0.0026 0.0044
Loa Loa (eye worm) hypothetical protein 0.0037 0.1178 0.1967
Echinococcus granulosus proteasome subunit alpha type 6 0.0011 0.0026 0.0044
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.1178 0.1931
Mycobacterium ulcerans beta-lactamase 0.0037 0.1178 0.1931
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0147 0.5987 1
Loa Loa (eye worm) proteasome subunit alpha type 7-1 0.0011 0.0026 0.0044
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.1178 0.1931
Echinococcus multilocularis proteasome subunit alpha type 2 0.0011 0.0026 0.0044
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0147 0.5987 1
Mycobacterium leprae Probable lipase LipE 0.0037 0.1178 0.1931
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.1178 0.1967
Brugia malayi proteasome subunit alpha type 1 0.0011 0.0026 0.0044
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.1178 0.1931

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.138 uM Antagonist activity at dog TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced calcium influx incubated for 5 mins prior to icilin induction measured after 5 mins by fluorescence assay ChEMBL. 23411075

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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