Detailed information for compound 1271485

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 439.357 | Formula: C20H15F6N5
  • H donors: 1 H acceptors: 3 LogP: 4.8 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(c1cccc(c1)Nc1ncnc2c1CCN(C2)c1ncccc1C(F)(F)F)(F)F
  • InChi: 1S/C20H15F6N5/c21-19(22,23)12-3-1-4-13(9-12)30-17-14-6-8-31(10-16(14)28-11-29-17)18-15(20(24,25)26)5-2-7-27-18/h1-5,7,9,11H,6,8,10H2,(H,28,29,30)
  • InChiKey: JWQSRYCSYMQUQO-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
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0028 0.0043 0.011
Echinococcus granulosus prolyl endopeptidase 0.027 0.1232 0.3145
Schistosoma mansoni rab6-interacting 0.0021 0.0007 0.0007
Brugia malayi hypothetical protein 0.0021 0.0007 0.0019
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0007 0.0019
Toxoplasma gondii prolyl endopeptidase 0.027 0.1232 0.5467
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0107 0.0432 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0043 0.0168
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0382 0.1786 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0335 0.1556 0.3972
Loa Loa (eye worm) hypothetical protein 0.0132 0.0552 0.1409
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0019
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0328 0.1521 0.3815
Echinococcus granulosus acetylcholinesterase 0.0132 0.0552 0.1409
Onchocerca volvulus Dual oxidase homolog 0.0129 0.0541 0.4388
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0815 0.3917 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0022 0.0013 0.0013
Brugia malayi Blistered cuticle protein 3 0.0129 0.0541 0.138
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0382 0.1786 1
Onchocerca volvulus Peroxidasin homolog 0.0129 0.0541 0.4388
Trypanosoma brucei oligopeptidase b 0.0107 0.0432 0.1004
Brugia malayi prolyl oligopeptidase family protein 0.0028 0.0043 0.011
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0034
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0747 0.3583 0.9148
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0046 0.0131 0.0227
Onchocerca volvulus 0.0021 0.0007 0.006
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0155 0.0669 0.1616
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0815 0.3917 0.3917
Echinococcus multilocularis RUN 0.0021 0.0007 0.0019
Echinococcus granulosus Dipeptidyl peptidase 9 0.0028 0.0043 0.011
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.027 0.1232 0.1232
Loa Loa (eye worm) blistered cuticle protein 3 0.0129 0.0541 0.138
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0007 0.0019
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0028 0.0043 0.011
Mycobacterium tuberculosis Conserved hypothetical protein 0.0173 0.0756 0.6878
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0382 0.1786 1
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0815 0.3917 1
Toxoplasma gondii MAPEG family protein 0.047 0.2218 1
Schistosoma mansoni polycystin 1-related 0.0021 0.0007 0.0007
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0028 0.0043 0.0168
Onchocerca volvulus Peroxidasin homolog 0.0129 0.0541 0.4388
Loa Loa (eye worm) hypothetical protein 0.0129 0.0541 0.138
Echinococcus granulosus BC026374 protein S09 family 0.0022 0.0013 0.0034
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0019
Loa Loa (eye worm) prolyl oligopeptidase 0.0028 0.0043 0.011
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.027 0.1232 0.3069
Brugia malayi Carboxylesterase family protein 0.0132 0.0552 0.1409
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0028 0.0043 0.0043
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0.0043 0.000000037126
Loa Loa (eye worm) hypothetical protein 0.0129 0.0541 0.138
Onchocerca volvulus 0.0022 0.0013 0.0108
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0747 0.3583 0.9148
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0126 0.0524 0.1337
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0028 0.0043 0.0043
Loa Loa (eye worm) animal heme peroxidase 0.0129 0.0541 0.138
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0022 0.0013 0.0034
Echinococcus multilocularis acetylcholinesterase 0.0132 0.0552 0.1409
Brugia malayi Doublecortin family protein 0.0021 0.0007 0.0019
Loa Loa (eye worm) hypothetical protein 0.0129 0.0541 0.138
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.0013 0.0013
Leishmania major oligopeptidase b 0.0107 0.0432 0.1004
Onchocerca volvulus Chorion peroxidase homolog 0.0129 0.0541 0.4388
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0007 0.0019
Schistosoma mansoni peroxidasin 0.0129 0.0541 0.0541
Echinococcus granulosus acylamino acid releasing enzyme 0.0028 0.0043 0.011
Entamoeba histolytica prolyl oligopeptidase family protein 0.0028 0.0043 0.5
Brugia malayi hypothetical protein 0.0129 0.0541 0.138
Loa Loa (eye worm) hypothetical protein 0.0129 0.0541 0.138
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0.0043 0.000000037126
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0155 0.0669 0.1616
Echinococcus multilocularis BC026374 protein (S09 family) 0.0022 0.0013 0.0034
Echinococcus granulosus para nitrobenzyl esterase 0.0022 0.0013 0.0034
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0241 0.1092 1
Onchocerca volvulus Peroxidase homolog 0.0129 0.0541 0.4388
Leishmania major mitochondrial DNA polymerase beta 0.0328 0.1521 0.3815
Entamoeba histolytica prolyl oligopeptidase family protein 0.0028 0.0043 0.5
Mycobacterium tuberculosis Probable peptidase 0.0107 0.0432 0.3879
Echinococcus granulosus Niemann Pick C1 protein 0.0335 0.1556 0.3972
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0007 0.0019
Loa Loa (eye worm) animal heme peroxidase 0.0129 0.0541 0.138
Loa Loa (eye worm) hypothetical protein 0.0129 0.0541 0.138
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0815 0.3917 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0007 0.0019
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0815 0.3917 1
Trypanosoma brucei prolyl endopeptidase 0.027 0.1232 0.3069
Loa Loa (eye worm) hypothetical protein 0.027 0.1232 0.3145
Loa Loa (eye worm) acetylcholinesterase 1 0.0132 0.0552 0.1409
Loa Loa (eye worm) hypothetical protein 0.0129 0.0541 0.138
Loa Loa (eye worm) hypothetical protein 0.0129 0.0541 0.138
Loa Loa (eye worm) hypothetical protein 0.0129 0.0541 0.138
Brugia malayi prolyl oligopeptidase family protein 0.027 0.1232 0.3145
Echinococcus multilocularis acetylcholinesterase 0.0132 0.0552 0.1409
Loa Loa (eye worm) animal heme peroxidase 0.0129 0.0541 0.138
Onchocerca volvulus 0.0022 0.0013 0.0108
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0028 0.0043 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0034
Plasmodium falciparum peptidase, putative 0.0028 0.0043 1
Trypanosoma cruzi oligopeptidase b 0.0107 0.0432 0.1004
Brugia malayi prolyl oligopeptidase family protein 0.0028 0.0043 0.011
Echinococcus granulosus Protein patched homolog 1 0.0335 0.1556 0.3972
Loa Loa (eye worm) hypothetical protein 0.0129 0.0541 0.138
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0815 0.3917 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.027 0.1232 0.1232
Brugia malayi Carboxylesterase family protein 0.0022 0.0013 0.0034
Onchocerca volvulus 0.0129 0.0541 0.4388
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0132 0.0552 0.0552
Onchocerca volvulus Peroxidase homolog 0.0129 0.0541 0.4388
Echinococcus granulosus carboxylesterase 5A 0.0132 0.0552 0.1409
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0107 0.0432 0.1004
Echinococcus granulosus nuclear factor of activated T cells 5 0.008 0.0298 0.0761
Brugia malayi prolyl oligopeptidase family protein 0.0028 0.0043 0.011
Schistosoma mansoni lipoxygenase 0.0088 0.0337 0.0337
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0107 0.0432 0.1004
Echinococcus multilocularis protein patched 0.0335 0.1556 0.3972
Schistosoma mansoni loxhd1 0.0021 0.0007 0.0007
Brugia malayi Animal haem peroxidase family protein 0.0129 0.0541 0.138
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0007 0.0019
Echinococcus multilocularis microsomal glutathione S transferase 3 0.047 0.2218 0.5662
Loa Loa (eye worm) hypothetical protein 0.0815 0.3917 1
Brugia malayi CHE-14 protein 0.0335 0.1556 0.3972
Trypanosoma cruzi oligopeptidase b 0.0107 0.0432 0.1004
Trypanosoma cruzi prolyl endopeptidase 0.027 0.1232 0.3069
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0747 0.3583 0.3583
Schistosoma mansoni neuroligin 3 (S09 family) 0.0022 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0028 0.0043 0.011
Schistosoma mansoni patched 1 0.0335 0.1556 0.1556
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0007 0.0019
Onchocerca volvulus 0.0129 0.0541 0.4388
Brugia malayi Animal haem peroxidase family protein 0.0129 0.0541 0.138
Loa Loa (eye worm) hypothetical protein 0.0129 0.0541 0.138
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0155 0.0669 0.1616
Echinococcus multilocularis carboxylesterase 5A 0.0132 0.0552 0.1409
Echinococcus multilocularis nuclear factor of activated T cells 5 0.008 0.0298 0.0761
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0034
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0815 0.3917 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0034
Loa Loa (eye worm) carboxylesterase 0.0132 0.0552 0.1409
Loa Loa (eye worm) prolyl oligopeptidase 0.0028 0.0043 0.011
Onchocerca volvulus 0.0022 0.0013 0.0108
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0328 0.1521 0.3815
Brugia malayi Carboxylesterase family protein 0.0022 0.0013 0.0034
Echinococcus granulosus microsomal glutathione S transferase 3 0.047 0.2218 0.5662
Schistosoma mansoni acetylcholinesterase 0.0022 0.0013 0.0013
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0028 0.0043 0.0043
Echinococcus granulosus neuroligin 0.0022 0.0013 0.0034
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0028 0.0043 0.0043
Brugia malayi Carboxylesterase family protein 0.0022 0.0013 0.0034
Echinococcus multilocularis acylamino acid releasing enzyme 0.0028 0.0043 0.011
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0747 0.3583 0.9148
Schistosoma mansoni rab6-interacting 0.0021 0.0007 0.0007
Echinococcus multilocularis prolyl endopeptidase 0.027 0.1232 0.3145
Echinococcus multilocularis para nitrobenzyl esterase 0.0022 0.0013 0.0034
Mycobacterium ulcerans hypothetical protein 0.0173 0.0756 0.1902
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0815 0.3917 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.0541 0.138
Echinococcus multilocularis peroxidasin 0.0129 0.0541 0.138
Echinococcus granulosus RUN 0.0021 0.0007 0.0019
Entamoeba histolytica hypothetical protein, conserved 0.0028 0.0043 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0335 0.1556 0.3972
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0034
Loa Loa (eye worm) hypothetical protein 0.0028 0.0043 0.011
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0382 0.1786 1
Trichomonas vaginalis conserved hypothetical protein 0.0335 0.1556 0.87
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0747 0.3583 0.9148
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0028 0.0043 0.0168
Schistosoma mansoni peroxidasin 0.0129 0.0541 0.0541
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0034
Onchocerca volvulus 0.0129 0.0541 0.4388
Loa Loa (eye worm) carboxylesterase 0.0022 0.0013 0.0034
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0028 0.0043 0.011
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0028 0.0043 0.5
Brugia malayi hypothetical protein 0.0022 0.0013 0.0034
Echinococcus granulosus sterol regulatory element binding protein 0.0335 0.1556 0.3972
Loa Loa (eye worm) hypothetical protein 0.0129 0.0541 0.138
Brugia malayi Animal haem peroxidase family protein 0.0129 0.0541 0.138
Loa Loa (eye worm) hypothetical protein 0.0129 0.0541 0.138
Entamoeba histolytica prolyl oligopeptidase family protein 0.0028 0.0043 0.5
Schistosoma mansoni hypothetical protein 0.0021 0.0007 0.0007
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0056 0.0181 0.0356
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0043 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0335 0.1556 0.3972
Onchocerca volvulus 0.0022 0.0013 0.0108
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0328 0.1521 0.3815
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0107 0.0432 0.1072
Brugia malayi Animal haem peroxidase family protein 0.0129 0.0541 0.138
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.0013 0.0013
Schistosoma mansoni memapsin-2 (A01 family) 0.0423 0.1989 0.1989
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0107 0.0432 0.3879
Schistosoma mansoni gliotactin 0.0022 0.0013 0.0013
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0107 0.0432 0.1004
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0815 0.3917 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0335 0.1556 0.3972
Schistosoma mansoni microsomal glutathione s-transferase 0.047 0.2218 0.2218
Trypanosoma brucei prolyl oligopeptidase, putative 0.0107 0.0432 0.1004
Toxoplasma gondii hypothetical protein 0.0053 0.0165 0.0559
Brugia malayi Animal haem peroxidase family protein 0.0129 0.0541 0.138
Onchocerca volvulus Prolyl endopeptidase homolog 0.027 0.1232 1
Echinococcus multilocularis neuroligin 0.0022 0.0013 0.0034
Schistosoma mansoni lipoxygenase 0.0126 0.0524 0.0524
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0028 0.0043 0.035
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0126 0.0524 0.1337
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0335 0.1556 0.1556
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0022 0.0013 0.0034
Loa Loa (eye worm) hypothetical protein 0.0132 0.0552 0.1409
Onchocerca volvulus 0.0021 0.0007 0.006
Loa Loa (eye worm) animal heme peroxidase 0.0129 0.0541 0.138
Echinococcus multilocularis protein dispatched 1 0.0335 0.1556 0.3972
Onchocerca volvulus 0.0022 0.0013 0.0108
Loa Loa (eye worm) hypothetical protein 0.0129 0.0541 0.138
Loa Loa (eye worm) carboxylesterase 0.0022 0.0013 0.0034
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0046 0.0131 0.0227
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0131 0.0227
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0131 0.0227
Echinococcus granulosus acetylcholinesterase 0.0132 0.0552 0.1409
Echinococcus granulosus peroxidasin 0.0129 0.0541 0.138
Brugia malayi hypothetical protein 0.0021 0.0007 0.0019
Brugia malayi Carboxylesterase family protein 0.0132 0.0552 0.1409
Brugia malayi Peroxidasin 0.0129 0.0541 0.138
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0034
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0107 0.0432 0.1004
Brugia malayi prolyl oligopeptidase family protein 0.0028 0.0043 0.011
Brugia malayi Carboxylesterase family protein 0.0022 0.0013 0.0034

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1450 nM Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay ChEMBL. 20947352

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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