Detailed information for compound 1009066

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 377.435 | Formula: C21H16FN3OS
  • H donors: 1 H acceptors: 3 LogP: 4.71 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1ccc(c(n1)C)C(=O)Nc1ccc2c(c1)nc(s2)C
  • InChi: 1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
  • InChiKey: QBATWTOFDFHEDZ-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
Cavia porcellus Vanilloid receptor 1 Starlite/ChEMBL References
Homo sapiens transient receptor potential cation channel, subfamily V, member 1 Starlite/ChEMBL References
Rattus norvegicus Vanilloid receptor 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
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0739 0.1412
Trypanosoma brucei trypanothione reductase 0.0055 0.259 0.6355
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0607 0.106
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0562 0.0562
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.075 0.0861
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0739 0.1412
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0126 0.6476 0.8903
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0739 0.0393
Trichomonas vaginalis conserved hypothetical protein 0.008 0.3954 1
Trypanosoma brucei cytochrome P450, putative 0.0022 0.075 0.1442
Schistosoma mansoni transcription factor btf3 0.008 0.3954 0.3954
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0372 0.0431
Schistosoma mansoni hypothetical protein 0.004 0.173 0.173
Echinococcus granulosus dna polymerase kappa 0.0022 0.0739 0.0739
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0739 0.0848
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0328 0.0377
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.259 0.2973
Echinococcus multilocularis transient receptor potential cation channel 0.0008 0.00000027546 0.00000027546
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0715 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.8711 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.2736 0.314
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0048 0.2183 0.5269
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0715 0.1348
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0607 0.106
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0739 0.1412
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0607 0.0697
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0739 0.1412
Trichomonas vaginalis conserved hypothetical protein 0.008 0.3954 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0019 0.0607 0.735
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.2491 0.2491
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0372 0.0431
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0715 0.1348
Plasmodium vivax basic transcription factor 3b, putative 0.008 0.3954 1
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0739 0.1412
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0715 0.1348
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0739 0.1412
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0607 0.106
Echinococcus granulosus dna polymerase eta 0.0022 0.0739 0.0739
Echinococcus granulosus transcription factor btf3 0.008 0.3954 0.3954
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0739 0.1412
Plasmodium falciparum glutathione reductase 0.0055 0.259 0.5923
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0739 0.1412
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.259 0.259
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0048 0.2183 0.4708
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.1774 0.1774
Echinococcus multilocularis dna polymerase eta 0.0022 0.0739 0.0739
Schistosoma mansoni cytochrome P450 0.0012 0.021 0.021
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.1964 0.4054
Echinococcus multilocularis GPCR, family 2 0.0018 0.0562 0.0562
Echinococcus granulosus GPCR family 2 0.0018 0.0562 0.0562
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.2491 0.2491
Echinococcus granulosus histone acetyltransferase KAT2B 0.0159 0.8239 0.8239
Trichomonas vaginalis bromodomain-containing protein, putative 0.0048 0.2183 0.4708
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0739 0.0739
Loa Loa (eye worm) glutathione reductase 0.0055 0.259 0.2973
Giardia lamblia DINP protein human, muc B family 0.0022 0.0739 0.097
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0739 0.1412
Brugia malayi glutathione reductase 0.0055 0.259 0.2973
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0607 0.0607
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0019 0.0607 0.0564
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0715 0.0322
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0739 0.0739
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0739 0.0739
Echinococcus multilocularis transient receptor potential cation channel 0.0008 0.00000027546 0.00000027546
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0048 0.2183 0.5269
Entamoeba histolytica hypothetical protein 0.008 0.3954 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0163 0.8489 0.8489
Schistosoma mansoni hypothetical protein 0.0191 1 1
Loa Loa (eye worm) ICD-1 protein 0.008 0.3954 0.4539
Schistosoma mansoni hypothetical protein 0.0012 0.021 0.021
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.1774 0.1774
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.075 0.0861
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0739 0.9786
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0022 0.075 1
Entamoeba histolytica hypothetical protein 0.0041 0.1774 0.3267
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0715 0.0821
Brugia malayi Cytochrome P450 family protein 0.0022 0.075 0.0861
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0739 0.0751
Toxoplasma gondii NAC domain-containing protein 0.008 0.3954 1
Brugia malayi Cytochrome P450 family protein 0.0012 0.021 0.0242
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0048 0.2183 0.4708
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0607 0.106
Entamoeba histolytica transcription factor BTF3, putative 0.008 0.3954 1
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.173 0.1986
Echinococcus multilocularis muscleblind protein 0.0167 0.8711 0.8711
Echinococcus multilocularis 0.0012 0.021 0.021
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0562 0.0562
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0607 0.106
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0607 0.106
Toxoplasma gondii NADPH-glutathione reductase 0.0019 0.0607 0.106
Echinococcus granulosus transient receptor potential cation channel 0.0008 0.00000027546 0.00000027546
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0607 0.0607
Loa Loa (eye worm) hypothetical protein 0.001 0.0096 0.011
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0607 0.106
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0715 0.0322
Entamoeba histolytica acetyltransferase, GNAT family 0.0044 0.1964 0.3856
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0739 0.1412
Entamoeba histolytica hypothetical protein 0.0041 0.1774 0.3267
Trypanosoma cruzi transcription factor btf3, putative 0.008 0.3954 1
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.075 0.1442
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0739 0.1412
Mycobacterium tuberculosis Probable reductase 0.0126 0.6476 0.8903
Loa Loa (eye worm) hypothetical protein 0.004 0.173 0.1986
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0739 0.1412
Brugia malayi Cytochrome P450 family protein 0.0022 0.075 0.0861
Schistosoma mansoni hypothetical protein 0.0041 0.1774 0.1774
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0126 0.6476 0.8903
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0607 0.0607
Echinococcus granulosus histone acetyltransferase KAT2B 0.0048 0.2183 0.2183
Loa Loa (eye worm) hypothetical protein 0.0022 0.0739 0.0848
Entamoeba histolytica hypothetical protein 0.0041 0.1774 0.3267
Brugia malayi Muscleblind-like protein 0.0167 0.8711 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0715 0.0795
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.2491 0.2859
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.2491 0.2491
Schistosoma mansoni hypothetical protein 0.0018 0.0562 0.0562
Echinococcus granulosus cytochrome P450 2K1 0.0012 0.021 0.021
Schistosoma mansoni ap endonuclease 0.0021 0.0715 0.0715
Schistosoma mansoni ap endonuclease 0.0021 0.0715 0.0715
Loa Loa (eye worm) hypothetical protein 0.0018 0.0562 0.0645
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0141 0.7248 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0126 0.6476 0.8903
Echinococcus multilocularis geminin 0.0191 1 1
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0562 0.0645
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0715 0.0322
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0126 0.6476 0.8903
Brugia malayi acetyltransferase, GNAT family protein 0.0163 0.8489 0.9745
Mycobacterium tuberculosis Probable dehydrogenase 0.0126 0.6476 0.8903
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0739 0.1412
Toxoplasma gondii thioredoxin reductase 0.0055 0.259 0.6355
Plasmodium falciparum thioredoxin reductase 0.0055 0.259 0.5923
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.075 0.1442
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0739 0.1412
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.259 0.5923
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0141 0.7248 1
Brugia malayi Thioredoxin reductase 0.0055 0.259 0.2973
Plasmodium falciparum basic transcription factor 3b, putative 0.008 0.3954 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.1774 0.1774
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0739 0.0848
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0739 0.0751
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0607 0.106
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0739 0.0848
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0607 0.5
Loa Loa (eye worm) acetyltransferase 0.0163 0.8489 0.9745
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0607 0.106
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0739 0.9786
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0562 0.0645
Leishmania major DNA polymerase kappa, putative 0.0022 0.0739 0.1412
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0739 0.1412
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.2491 0.2859
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.259 0.259
Trypanosoma brucei unspecified product 0.0015 0.0372 0.0431
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0715 0.1348
Leishmania major basic transcription factor 3a, putative 0.008 0.3954 1
Leishmania major DNA polymerase eta, putative 0.0022 0.0739 0.1412
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0607 0.106
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0739 0.1412
Schistosoma mansoni hypothetical protein 0.0191 1 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0019 0.0607 0.735
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0328 0.0377
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0739 0.1412
Echinococcus multilocularis muscleblind protein 1 0.0167 0.8711 0.8711
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.259 0.3381
Toxoplasma gondii exonuclease III APE 0.0021 0.0715 0.1348
Trypanosoma brucei transcription factor BTF3, putative 0.008 0.3954 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0126 0.6476 0.8903
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0739 0.0739
Brugia malayi Cytochrome P450 family protein 0.0055 0.2562 0.2941
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0739 0.1412
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0607 0.106
Leishmania major cytochrome p450-like protein 0.0022 0.075 0.1442
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.2491 0.2491
Brugia malayi hypothetical protein 0.0041 0.1774 0.2036
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0715 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.2736 0.314
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0141 0.7248 1
Plasmodium vivax glutathione reductase, putative 0.0055 0.259 0.5923
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0739 0.0393
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0019 0.0607 0.106
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0019 0.0607 0.735
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.2491 0.2491
Brugia malayi beta-NAC-like protein 0.008 0.3954 0.4539
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0607 0.106
Loa Loa (eye worm) cytochrome P450 0.0012 0.021 0.0242
Echinococcus multilocularis transcription factor btf3 0.008 0.3954 0.3954
Loa Loa (eye worm) hypothetical protein 0.0167 0.8711 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0715 0.9348
Brugia malayi cytochrome P450 0.0012 0.021 0.0242
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0715 0.0322
Schistosoma mansoni hypothetical protein 0.0018 0.0562 0.0562
Echinococcus granulosus muscleblind protein 0.0167 0.8711 0.8711
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.259 0.6355
Trypanosoma cruzi transcription factor btf3, putative 0.008 0.3954 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0562 0.0562
Entamoeba histolytica hypothetical protein 0.0041 0.1774 0.3267
Trypanosoma brucei unspecified product 0.0022 0.0739 0.1412
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0715 0.0717
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0562 0.0562
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0739 0.1412
Loa Loa (eye worm) hypothetical protein 0.0058 0.2736 0.314
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.2736 0.314
Leishmania major trypanothione reductase 0.0055 0.259 0.6355
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0607 0.106
Schistosoma mansoni DNA polymerase eta 0.0022 0.0739 0.0739
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0715 0.0715
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0562 0.0645
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0372 0.0431
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.2491 0.2491
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0739 0.0739
Schistosoma mansoni hypothetical protein 0.0018 0.0562 0.0562
Schistosoma mansoni hypothetical protein 0.0018 0.0562 0.0562
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.2491 0.2491
Giardia lamblia Histone acetyltransferase GCN5 0.0044 0.1964 1
Trypanosoma brucei unspecified product 0.0015 0.0372 0.0431
Loa Loa (eye worm) CYP4Cod1 0.0022 0.075 0.0861
Trichomonas vaginalis conserved hypothetical protein 0.008 0.3954 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0715 0.0715
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0739 0.1412
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0607 0.106
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0607 0.106
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0607 0.106
Mycobacterium tuberculosis Probable oxidoreductase 0.0141 0.7248 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0607 0.106
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.0739 0.0073
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.2562 0.2941
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0163 0.8489 0.8489
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0715 0.0821

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 7 Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay ChEMBL. 18809327
IC50 (functional) = 7.2 Antagonist activity at guinea pig TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay ChEMBL. 18809327
IC50 (functional) = 7.4 Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay ChEMBL. 18809327
IC50 (functional) = 9 nM Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by whole cell patch clamp assay ChEMBL. 18809327
IC50 (functional) = 49 nM Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium influx by whole cell patch clamp assay ChEMBL. 18809327
Inhibition (binding) = 87 % Inhibition of human TRPV1 expressed in HEK293 cells assessed as reversible inhibition of heat-activated current at 1 uM by whole cell patch clamp assay relative to control ChEMBL. 18809327
Inhibition (functional) = 96 % Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx at 100 nM by whole cell patch clamp assay ChEMBL. 18809327
Inhibition (functional) = 100 % Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium influx at 1 uM by whole cell patch clamp assay ChEMBL. 18809327
pKb (functional) = 7 Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium influx by FLIPR assay ChEMBL. 18809327
pKb (functional) = 7.4 Antagonist activity at guinea pig TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium influx by FLIPR assay ChEMBL. 18809327

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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