Detailed information for compound 507299

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 380.361 | Formula: C19H19F3N2O3
  • H donors: 2 H acceptors: 2 LogP: 4.24 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc2c(c1)N(CCC2)CCNC(=O)c1ccc(cc1)OC(F)(F)F
  • InChi: 1S/C19H19F3N2O3/c20-19(21,22)27-16-7-4-14(5-8-16)18(26)23-9-11-24-10-1-2-13-3-6-15(25)12-17(13)24/h3-8,12,25H,1-2,9-11H2,(H,23,26)
  • InChiKey: MKVINKFSJSMUIZ-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

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni coup transcription factor 0.0018 0.0231 0.0231
Schistosoma mansoni RAR-like nuclear receptor 0.0018 0.0231 0.0231
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0374 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0018 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0088 0.2155 0.2737
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0258 0.0235
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0018 0.0231 0.0293
Trichomonas vaginalis thymidine kinase, putative 0.0262 0.6924 0.6842
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0795 0.0795
Echinococcus multilocularis GPCR, family 2 0.0028 0.0505 0.0505
Brugia malayi follicle stimulating hormone receptor 0.0226 0.5946 0.5946
Echinococcus granulosus purine nucleoside phosphorylase 0.0374 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0231 0.0293
Schistosoma mansoni hypothetical protein 0.0028 0.0505 0.0505
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0374 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0028 0.0505 0.0505
Brugia malayi Latrophilin receptor protein 2 0.0028 0.0505 0.0505
Trypanosoma brucei unspecified product 0.0019 0.0258 0.0235
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0258 0.0258
Loa Loa (eye worm) latrophilin receptor protein 2 0.0028 0.0505 0.0642
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0018 0.0231 0.0231
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0038 0.0795 0.0795
Loa Loa (eye worm) uridine phosphorylase 0.0077 0.1866 0.2369
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0018 0.0231 0.0231
Trypanosoma cruzi thymidine kinase, putative 0.0262 0.6924 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0028 0.0505 0.0505
Loa Loa (eye worm) hypothetical protein 0.0297 0.7876 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0231 0.0231
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.0231 0.0231
Brugia malayi latrophilin 2 splice variant baaae 0.006 0.1392 0.1392
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0077 0.1866 0.165
Treponema pallidum uridine phosphorylase (udp) 0.0077 0.1866 0.5
Treponema pallidum pfs protein (pfs) 0.0077 0.1866 0.5
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0077 0.1866 0.165
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0077 0.1866 0.2411
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0018 0.0231 0.0231
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0258 0.0235
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0258 0.0235
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0258 0.0235
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0258 0.0258
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0018 0.0231 0.0231
Schistosoma mansoni hypothetical protein 0.0028 0.0505 0.0505
Schistosoma mansoni thyroid hormone receptor 0.0018 0.0231 0.0231
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0028 0.0505 0.0505
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0258 0.0328
Schistosoma mansoni hypothetical protein 0.0028 0.0505 0.0505
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0258 0.0258
Echinococcus multilocularis dna polymerase eta 0.0019 0.0258 0.0258
Trichomonas vaginalis thymidine kinase, putative 0.0262 0.6924 0.6842
Toxoplasma gondii Purine nucleoside phosphorylase 0.0077 0.1866 0.5
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0077 0.1866 0.5
Giardia lamblia UPL-1 0.0077 0.1866 0.165
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0258 0.0235
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0077 0.1866 0.165
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0231 0.0231
Schistosoma mansoni methylthioadenosine phosphorylase 0.0077 0.1866 0.1866
Loa Loa (eye worm) hypothetical protein 0.0018 0.0231 0.0293
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0795 0.0795
Brugia malayi ecdysteroid receptor 0.0018 0.0231 0.0231
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0258 0.0235
Trichomonas vaginalis thymidine kinase, putative 0.0262 0.6924 0.6842
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0088 0.2155 0.2737
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0374 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0018 0.0231 0.0231
Schistosoma mansoni purine nucleoside phosphorylase 0.0374 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0374 1 1
Entamoeba histolytica thymidine kinase, putative 0.0262 0.6924 1
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0231 0.0231
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0258 0.0235
Echinococcus multilocularis purine nucleoside phosphorylase 0.0374 1 1
Echinococcus granulosus methylthioadenosine phosphorylase 0.0077 0.1866 0.1866
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0018 0.0231 0.0231
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0077 0.1866 0.2411
Brugia malayi Steroid receptor seven-up type 2 0.0018 0.0231 0.0231
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0018 0.0231 0.0293
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0077 0.1866 0.2411
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0077 0.1866 0.2411
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0038 0.0795 0.0795
Schistosoma mansoni nuclear hormone receptor 0.0018 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0018 0.0231 0.0293
Schistosoma mansoni purine nucleoside phosphorylase 0.0374 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0018 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0018 0.0231 0.0293
Brugia malayi Calcitonin receptor-like protein seb-1 0.0088 0.2155 0.2155
Brugia malayi nuclear hormone receptor 0.0018 0.0231 0.0231
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0077 0.1866 0.165
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0018 0.0231 0.0293
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0077 0.1866 0.165
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0018 0.0231 0.0231
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0018 0.0231 0.0231
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0258 0.0235
Echinococcus granulosus purine nucleoside phosphorylase 0.0374 1 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0077 0.1866 0.2411
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0077 0.1866 0.165
Brugia malayi nuclear receptor NHR-88 0.0018 0.0231 0.0231
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0258 0.0258
Echinococcus granulosus purine nucleoside phosphorylase 0.0374 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0374 1 1
Giardia lamblia Thymidine kinase 0.0262 0.6924 0.6842
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0018 0.0231 0.0231
Schistosoma mansoni uridine phosphorylase 0.0077 0.1866 0.1866
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0018 0.0231 0.0293
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0038 0.0795 0.0795
Echinococcus multilocularis purine nucleoside phosphorylase 0.0297 0.7876 0.7876
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0018 0.0231 0.0231
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0018 0.0231 0.0293
Giardia lamblia Deoxynucleoside kinase 0.0369 0.9851 0.9848
Trypanosoma brucei thymidine kinase 0.0262 0.6924 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0231 0.0231
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0231 0.0231
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0258 0.0235
Echinococcus multilocularis FTZ F1 alpha 0.0018 0.0231 0.0231
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0018 0.0231 0.0231
Leishmania major nucleoside phosphorylase-like protein 0.0077 0.1866 0.2411
Schistosoma mansoni hypothetical protein 0.0028 0.0505 0.0505
Schistosoma mansoni methylthioadenosine phosphorylase 0.0077 0.1866 0.1866
Brugia malayi steroid hormone receptor 0.0018 0.0231 0.0231
Toxoplasma gondii phosphorylase family protein 0.0077 0.1866 0.5
Entamoeba histolytica hypothetical protein 0.0077 0.1866 0.2411
Echinococcus multilocularis thyroid hormone receptor alpha 0.0018 0.0231 0.0231
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0028 0.0505 0.0505
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0018 0.0231 0.0293
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0038 0.0795 0.101
Mycobacterium tuberculosis Hypothetical protein 0.0077 0.1866 0.165
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0258 0.0258
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0258 0.0235
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0795 0.0795
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0018 0.0231 0.0231
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0018 0.0231 0.0231
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0028 0.0505 0.0505
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0231 0.0231
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0077 0.1866 0.165
Trichomonas vaginalis conserved hypothetical protein 0.0077 0.1866 0.165
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0018 0.0231 0.0231
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0038 0.0795 0.0795
Toxoplasma gondii phosphorylase family protein 0.0077 0.1866 0.5
Schistosoma mansoni DNA polymerase eta 0.0019 0.0258 0.0258
Trypanosoma cruzi thymidine kinase, putative 0.0262 0.6924 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0077 0.1866 0.2411
Mycobacterium tuberculosis Conserved hypothetical protein 0.0077 0.1866 0.165
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0088 0.2155 0.2155
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0258 0.0235
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0258 0.0258
Trypanosoma brucei uridine phosphorylase 0.0077 0.1866 0.259
Echinococcus granulosus uridine phosphorylase 1 0.0077 0.1866 0.1866
Echinococcus granulosus purine nucleoside phosphorylase 0.0374 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0018 0.0231 0.0231
Echinococcus granulosus purine nucleoside phosphorylase 0.0374 1 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0077 0.1866 0.2411
Chlamydia trachomatis AMP nucleosidase 0.0077 0.1866 0.5
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0077 0.1866 0.2411
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0077 0.1866 0.165
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0077 0.1866 0.2369
Brugia malayi uridine phosphorylase family protein 0.0077 0.1866 0.1866
Brugia malayi MTAP 0.0077 0.1866 0.1866
Loa Loa (eye worm) hypothetical protein 0.006 0.1392 0.1767
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0018 0.0231 0.0231
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0258 0.0258
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0231 0.0231
Schistosoma mansoni methylthioadenosine phosphorylase 0.0077 0.1866 0.1866
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0018 0.0231 0.0293
Leishmania major thymidine kinase, putative 0.0262 0.6924 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0018 0.0231 0.0231
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0258 0.0235
Loa Loa (eye worm) hypothetical protein 0.0018 0.0231 0.0293
Echinococcus multilocularis purine nucleoside phosphorylase 0.0374 1 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0077 0.1866 0.2411
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0018 0.0231 0.0231
Echinococcus granulosus GPCR family 2 0.0028 0.0505 0.0505
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0077 0.1866 0.1866
Schistosoma mansoni thyroid hormone receptor 0.0018 0.0231 0.0231
Echinococcus granulosus FTZ F1 alpha 0.0018 0.0231 0.0231
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0077 0.1866 0.165
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0231 0.0231
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0297 0.7876 0.7876
Echinococcus multilocularis purine nucleoside phosphorylase 0.0297 0.7876 0.7876
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0231 0.0231
Echinococcus granulosus purine nucleoside phosphorylase 0.0374 1 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0077 0.1866 0.165
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0231 0.0231
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0018 0.0231 0.0231
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0077 0.1866 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0077 0.1866 0.165
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 0.5946 0.755
Loa Loa (eye worm) hypothetical protein 0.0018 0.0231 0.0293
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0258 0.0235
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0231 0.0231
Echinococcus granulosus purine nucleoside phosphorylase 0.0374 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0038 0.0795 0.0795
Plasmodium falciparum purine nucleoside phosphorylase 0.0077 0.1866 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0505 0.0642
Echinococcus multilocularis purine nucleoside phosphorylase 0.0374 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0018 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0019 0.0258 0.0328
Schistosoma mansoni uridine phosphorylase 0.0077 0.1866 0.1866
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0077 0.1866 0.259
Loa Loa (eye worm) steroid hormone receptor 0.0018 0.0231 0.0293
Echinococcus granulosus ecdysone induced protein 78C 0.0018 0.0231 0.0231
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0077 0.1866 0.2411
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0374 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0374 1 1
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0374 1 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0077 0.1866 0.2411
Echinococcus multilocularis uridine phosphorylase 1 0.0077 0.1866 0.1866
Leishmania major methylthioadenosine phosphorylase, putative 0.0077 0.1866 0.2411
Schistosoma mansoni retinoic acid receptor RXR 0.0018 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0018 0.0231 0.0293
Echinococcus multilocularis purine nucleoside phosphorylase 0.0374 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0258 0.0235
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0018 0.0231 0.0231
Schistosoma mansoni hypothetical protein 0.006 0.1392 0.1392
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0374 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0231 0.0293
Echinococcus granulosus dna polymerase eta 0.0019 0.0258 0.0258
Brugia malayi photoreceptor-specific nuclear receptor 0.0018 0.0231 0.0231
Trichomonas vaginalis conserved hypothetical protein 0.0077 0.1866 0.165
Echinococcus granulosus dna polymerase kappa 0.0019 0.0258 0.0258
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0077 0.1866 0.165

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 960 nM Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells ChEMBL. 18155908
IC50 (functional) = 960 nM Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells ChEMBL. 18155908

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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