Detailed information for compound 152666

Basic information

Technical information
  • TDR Targets ID: 152666
  • Name: 4-[3-butanoyl-4-(2,6-dimethylanilino)quinolin -8-yl]oxy-N-(1-hydroxy-2-methylpropan-2-yl)bu tanamide
  • MW: 491.622 | Formula: C29H37N3O4
  • H donors: 3 H acceptors: 4 LogP: 5.03 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(=O)c1cnc2c(c1Nc1c(C)cccc1C)cccc2OCCCC(=O)NC(CO)(C)C
  • InChi: 1S/C29H37N3O4/c1-6-10-23(34)22-17-30-28-21(27(22)31-26-19(2)11-7-12-20(26)3)13-8-14-24(28)36-16-9-15-25(35)32-29(4,5)18-33/h7-8,11-14,17,33H,6,9-10,15-16,18H2,1-5H3,(H,30,31)(H,32,35)
  • InChiKey: YWEGRJNIBKELHR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[3-butanoyl-4-(2,6-dimethylanilino)-8-quinolyl]oxy]-N-(2-hydroxy-1,1-dimethyl-ethyl)butanamide
  • 4-[[4-(2,6-dimethylanilino)-3-(1-oxobutyl)-8-quinolyl]oxy]-N-(2-hydroxy-1,1-dimethylethyl)butanamide
  • 4-[3-butanoyl-4-[(2,6-dimethylphenyl)amino]quinolin-8-yl]oxy-N-(1-hydroxy-2-methyl-propan-2-yl)butanamide
  • 4-[[3-butyryl-4-(2,6-dimethylanilino)-8-quinolyl]oxy]-N-(2-hydroxy-1,1-dimethyl-ethyl)butyramide
  • 4-[3-butanoyl-4-[(2,6-dimethylphenyl)amino]quinolin-8-yl]oxy-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
  • 4-[[3-butanoyl-4-[(2,6-dimethylphenyl)amino]-8-quinolyl]oxy]-N-(2-hydroxy-1,1-dimethyl-ethyl)butanamide
  • 4-[[4-[(2,6-dimethylphenyl)amino]-3-(1-oxobutyl)-8-quinolyl]oxy]-N-(2-hydroxy-1,1-dimethylethyl)butanamide
  • 4-[[3-butyryl-4-[(2,6-dimethylphenyl)amino]-8-quinolyl]oxy]-N-(2-hydroxy-1,1-dimethyl-ethyl)butyramide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa Potassium-transporting ATPase 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
Loa Loa (eye worm) hypothetical protein Potassium-transporting ATPase   290 aa 301 aa 25.9 %
Echinococcus granulosus sodium:potassium dependent atpase beta subunit Potassium-transporting ATPase   290 aa 266 aa 25.6 %
Echinococcus multilocularis nervana 2 Potassium-transporting ATPase   290 aa 265 aa 22.3 %
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit Potassium-transporting ATPase   290 aa 267 aa 21.3 %
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit Potassium-transporting ATPase   290 aa 266 aa 24.1 %
Echinococcus multilocularis nervana 2 Potassium-transporting ATPase   290 aa 280 aa 29.6 %
Drosophila melanogaster nervana 1 Potassium-transporting ATPase   290 aa 305 aa 23.9 %
Onchocerca volvulus Glutamate carboxypeptidase 2 homolog Potassium-transporting ATPase   290 aa 301 aa 25.9 %
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit Potassium-transporting ATPase   290 aa 267 aa 27.3 %
Echinococcus granulosus nervana 2 Potassium-transporting ATPase   290 aa 280 aa 29.3 %
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit Potassium-transporting ATPase   290 aa 306 aa 26.1 %
Schistosoma japonicum ko:K01540 Na+/K+-exchanging ATPase beta subunit [EC3.6.3.9B], putative Potassium-transporting ATPase   290 aa 258 aa 23.6 %
Schistosoma japonicum Sodium/potassium-transporting ATPase subunit beta-1, putative Potassium-transporting ATPase   290 aa 258 aa 24.4 %
Schistosoma japonicum Sodium/potassium-transporting ATPase subunit beta, putative Potassium-transporting ATPase   290 aa 256 aa 25.4 %
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit Potassium-transporting ATPase   290 aa 254 aa 23.6 %
Echinococcus granulosus sodium:potassium dependent atpase beta subunit Potassium-transporting ATPase   290 aa 267 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) fibroinase 0.02 0.3242 0.3242
Loa Loa (eye worm) hypothetical protein 0.0061 0.0867 0.0867
Schistosoma mansoni cathepsin C 0.0051 0.07 0.0635
Schistosoma mansoni cathepsin F (C01 family) 0.02 0.3242 0.3195
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0051 0.07 0.0635
Entamoeba histolytica cysteine protease, putative 0.0111 0.173 0.5337
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0017 0.0127 0.0296
Onchocerca volvulus 0.02 0.3242 1
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.0026 0.0273 0.0206
Brugia malayi cathepsin L-like precursor 0.014 0.2211 0.2211
Trypanosoma cruzi cysteine proteinase, putative 0.0111 0.173 0.1713
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0051 0.07 0.1909
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0017 0.0127 0.0296
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0014 0.0069 0.0134
Brugia malayi Membrane calcium atpase protein 3 0.0014 0.0069 0.0069
Echinococcus granulosus cathepsin b 0.0598 1 1
Giardia lamblia Cathepsin B precursor 0.0051 0.07 0.1799
Entamoeba histolytica cysteine protease, putative 0.0111 0.173 0.5337
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.02 0.3242 0.906
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0051 0.07 0.1909
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0051 0.07 0.1989
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0051 0.07 0.1909
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.02 0.3242 0.906
Onchocerca volvulus 0.0026 0.0273 0.047
Loa Loa (eye worm) hypothetical protein 0.0017 0.0127 0.0127
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0017 0.0127 0.0296
Plasmodium falciparum cysteine proteinase falcipain 2b 0.02 0.3242 1
Loa Loa (eye worm) E1-E2 ATPase 0.0011 0.0021 0.0021
Entamoeba histolytica cysteine protease, putative 0.0051 0.07 0.2158
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.0012 0.0034 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.02 0.3242 0.906
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.014 0.2211 0.6161
Schistosoma mansoni cathepsin B (C01 family) 0.0051 0.07 0.0635
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0061 0.0867 0.0867
Trypanosoma cruzi cruzipain precursor, putative 0.02 0.3242 0.3227
Giardia lamblia Cysteine protease 0.0051 0.07 0.1799
Echinococcus granulosus cathepsin L 0.0111 0.173 0.1673
Loa Loa (eye worm) hypothetical protein 0.014 0.2211 0.2211
Echinococcus granulosus nervana 2 0.0026 0.0273 0.0206
Echinococcus multilocularis nervana 2 0.0026 0.0273 0.0206
Echinococcus multilocularis cysteine protease 0.02 0.3242 0.3195
Brugia malayi cathepsin L-like cysteine proteinase 0.0051 0.07 0.07
Schistosoma mansoni cathepsin F (C01 family) 0.014 0.2211 0.2157
Schistosoma mansoni cathepsin S (C01 family) 0.0051 0.07 0.0635
Echinococcus granulosus nervana 2 0.0026 0.0273 0.0206
Plasmodium falciparum serine repeat antigen 9 0.0051 0.07 0.1989
Giardia lamblia Cysteine protease 0.0051 0.07 0.1799
Entamoeba histolytica cysteine protease, putative 0.0111 0.173 0.5337
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0111 0.173 0.4808
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.02 0.3242 0.906
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.02 0.3242 0.906
Plasmodium vivax vivapain-1 0.0111 0.173 0.5148
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0051 0.07 0.184
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.02 0.3242 0.906
Entamoeba histolytica cysteine protease, putative 0.0111 0.173 0.5337
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.02 0.3242 0.906
Entamoeba histolytica cysteine protease, putative 0.0051 0.07 0.2158
Schistosoma mansoni cathepsin F (C01 family) 0.02 0.3242 0.3195
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.173 0.4808
Brugia malayi Papain family cysteine protease containing protein 0.0051 0.07 0.07
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0051 0.07 0.1909
Trypanosoma brucei cysteine peptidase C (CPC) 0.022 0.3576 1
Brugia malayi Cathepsin L-like precursor 0.02 0.3242 0.3242
Trypanosoma cruzi cysteine peptidase, putative 0.02 0.3242 0.3227
Brugia malayi Cathepsin L-like precursor 0.014 0.2211 0.2211
Plasmodium falciparum serine repeat antigen 7 0.0051 0.07 0.1989
Giardia lamblia Cathepsin L-like protease 0.0051 0.07 0.1799
Echinococcus multilocularis nervana 2 0.0026 0.0273 0.0206
Entamoeba histolytica cysteine proteinase, putative 0.02 0.3242 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0598 1 1
Echinococcus granulosus cathepsin b 0.0598 1 1
Entamoeba histolytica cysteine protease, putative 0.0111 0.173 0.5337
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.022 0.3576 0.3532
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.07 0.1909
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.02 0.3242 0.906
Giardia lamblia Cathepsin B precursor 0.0051 0.07 0.1799
Giardia lamblia Encystation-specific protease 0.0051 0.07 0.1799
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.02 0.3242 0.906
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.02 0.3242 0.906
Brugia malayi cathepsin Z-like cysteine proteinase 0.0051 0.07 0.07
Echinococcus granulosus cysteine protease 0.0111 0.173 0.1673
Entamoeba histolytica cysteine protease, putative 0.0111 0.173 0.5337
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0051 0.07 0.07
Leishmania major cysteine peptidase A (CPA) 0.02 0.3242 0.906
Giardia lamblia Cathepsin B precursor 0.022 0.3576 1
Onchocerca volvulus Cathepsin L homolog 0.02 0.3242 1
Trypanosoma cruzi cysteine proteinase, putative 0.0111 0.173 0.1713
Entamoeba histolytica cysteine proteinase, putative 0.0111 0.173 0.5337
Loa Loa (eye worm) hypothetical protein 0.0051 0.07 0.07
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.014 0.2211 0.2195
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.0017 0.0127 1
Brugia malayi Cathepsin L-like precursor 0.02 0.3242 0.3242
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.02 0.3242 0.906
Plasmodium falciparum serine repeat antigen 1 0.0051 0.07 0.1989
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0051 0.07 0.184
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0014 0.0069 0.0048
Loa Loa (eye worm) hypothetical protein 0.0017 0.0127 0.0127
Giardia lamblia Cathepsin B precursor 0.022 0.3576 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.02 0.3242 0.906
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0017 0.0127 0.0296
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0051 0.07 0.184
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0051 0.07 0.1799
Toxoplasma gondii P-type ATPase4, putative 0.0017 0.0127 0.0296
Loa Loa (eye worm) hypothetical protein 0.02 0.3242 0.3242
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.02 0.3242 0.906
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0111 0.173 0.4808
Entamoeba histolytica cysteine protease, putative 0.02 0.3242 1
Entamoeba histolytica hypothetical protein 0.0051 0.07 0.2158
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0051 0.07 0.0635
Brugia malayi fibroinase precursor 0.0051 0.07 0.07
Giardia lamblia Hypothetical protein 0.0051 0.07 0.1799
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0051 0.07 0.1909
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0598 1 1
Plasmodium falciparum serine repeat antigen 3 0.0051 0.07 0.1989
Plasmodium vivax vivapain-2 0.02 0.3242 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0017 0.0127 0.039
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0026 0.0273 0.0206
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0017 0.0127 0.0058
Plasmodium falciparum serine repeat antigen 5 0.0051 0.07 0.1989
Brugia malayi cathepsin F-like cysteine proteinase 0.0051 0.07 0.07
Loa Loa (eye worm) hypothetical protein 0.0051 0.07 0.07
Echinococcus multilocularis cathepsin b 0.0598 1 1
Onchocerca volvulus 0.0051 0.07 0.184
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0017 0.0127 0.0296
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0026 0.0273 0.0206
Echinococcus granulosus cathepsin L cysteine protease 0.0111 0.173 0.1673
Toxoplasma gondii cathepsin CPL 0.02 0.3242 0.906
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.02 0.3242 0.906
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0051 0.07 0.184
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0026 0.0273 0.0206
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.02 0.3242 0.906
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0051 0.07 0.2158
Loa Loa (eye worm) cysteine protease 0.02 0.3242 0.3242
Toxoplasma gondii cathepsin CPC1 0.0051 0.07 0.1909
Trypanosoma brucei calcium-translocating P-type ATPase 0.0014 0.0069 0.0134
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.02 0.3242 0.906
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0051 0.07 0.1989
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0014 0.0069 0.0134
Brugia malayi Cathepsin L-like precursor 0.02 0.3242 0.3242
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.02 0.3242 0.906
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0026 0.0273 0.0206
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0598 1 1
Onchocerca volvulus 0.02 0.3242 1
Giardia lamblia Cathepsin L precursor 0.0051 0.07 0.1799
Brugia malayi Papain family cysteine protease containing protein 0.02 0.3242 0.3242
Toxoplasma gondii calcium-translocating P-type ATPase, PMCA-type protein 0.0017 0.0127 0.0296
Leishmania major cathepsin L-like protease 0.02 0.3242 0.906
Brugia malayi Cathepsin L-like precursor 0.02 0.3242 0.3242
Leishmania major calcium-translocating P-type ATPase 0.0017 0.0127 0.0296
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.07 0.068
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0051 0.07 0.1909
Giardia lamblia Cathepsin L precursor 0.0051 0.07 0.1799
Giardia lamblia Cathepsin L precursor 0.0051 0.07 0.1799
Giardia lamblia Cathepsin B precursor 0.022 0.3576 1
Giardia lamblia Hypothetical protein 0.0051 0.07 0.1799
Entamoeba histolytica cysteine protease, putative 0.0111 0.173 0.5337
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0026 0.0273 0.0206
Brugia malayi Cathepsin L-like precursor 0.0061 0.0867 0.0867
Entamoeba histolytica cysteine proteinase 1, putative 0.0111 0.173 0.5337
Onchocerca volvulus 0.014 0.2211 0.6692
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0017 0.0127 0.0058
Loa Loa (eye worm) hypothetical protein 0.0051 0.07 0.07
Giardia lamblia Cathepsin L precursor 0.0051 0.07 0.1799
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.07 0.1909
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0017 0.0127 0.0058
Onchocerca volvulus 0.02 0.3242 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0051 0.07 0.0635
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0051 0.07 0.1909
Trichomonas vaginalis cation-transporting ATPase, putative 0.0017 0.0127 0.0296
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0014 0.0069 0.0048
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.0017 0.0127 0.0182
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0051 0.07 0.184
Entamoeba histolytica cysteine proteinase, putative 0.0111 0.173 0.5337
Leishmania major calcium motive p-type ATPase, putative 0.0014 0.0069 0.0134
Loa Loa (eye worm) hypothetical protein 0.0051 0.07 0.07
Trypanosoma cruzi cruzipain precursor, putative 0.0061 0.0867 0.0848
Loa Loa (eye worm) hypothetical protein 0.0051 0.07 0.07
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0051 0.07 0.1909
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0012 0.0034 0.0034
Brugia malayi Papain family cysteine protease containing protein 0.0051 0.07 0.07
Toxoplasma gondii preprocathepsin c precursor, putative 0.0051 0.07 0.1909
Entamoeba histolytica cysteine proteinase, putative 0.014 0.2211 0.6821
Leishmania major cathepsin L-like protease 0.02 0.3242 0.906
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0051 0.07 0.1909
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0598 1 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.07 0.068
Loa Loa (eye worm) hypothetical protein 0.0061 0.0867 0.0867
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.02 0.3242 0.906
Plasmodium falciparum serine repeat antigen 4 0.0051 0.07 0.1989
Plasmodium vivax serine-repeat antigen (SERA) 0.0051 0.07 0.184
Plasmodium falciparum serine repeat antigen 6 0.0051 0.07 0.1989
Trichomonas vaginalis cation-transporting ATPase, putative 0.0017 0.0127 0.0296
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.0017 0.0127 0.0058
Echinococcus granulosus nervana 2 0.0026 0.0273 0.0206
Plasmodium vivax unspecified product 0.0061 0.0867 0.2378
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.02 0.3242 0.906
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0017 0.0127 0.0106
Trypanosoma cruzi cysteine peptidase, putative 0.02 0.3242 0.3227
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0026 0.0273 0.0206
Entamoeba histolytica cysteine proteinase, putative 0.02 0.3242 1
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0051 0.07 0.0635
Entamoeba histolytica cysteine protease, putative 0.0111 0.173 0.5337
Loa Loa (eye worm) hypothetical protein 0.014 0.2211 0.2211
Onchocerca volvulus 0.02 0.3242 1
Echinococcus multilocularis nervana 2 0.0026 0.0273 0.0206
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.02 0.3242 0.906
Echinococcus multilocularis cysteine protease 0.02 0.3242 0.3195
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.02 0.3242 0.906
Leishmania major cathepsin L-like protease 0.02 0.3242 0.906
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.02 0.3242 0.906
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0111 0.173 0.1713
Echinococcus multilocularis cathepsin L 0.0111 0.173 0.1673
Trypanosoma cruzi cysteine peptidase, putative 0.02 0.3242 0.3227
Entamoeba histolytica cysteine protease, putative 0.0051 0.07 0.2158
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0051 0.07 0.0635
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.02 0.3242 0.906
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0017 0.0127 0.0058
Brugia malayi Cathepsin L-like precursor 0.02 0.3242 0.3242
Plasmodium falciparum serine repeat antigen 2 0.0051 0.07 0.1989
Echinococcus multilocularis cathepsin L 0.0051 0.07 0.0635
Brugia malayi Cathepsin L-like cysteine proteinase 0.014 0.2211 0.2211
Plasmodium falciparum cysteine proteinase falcipain 2a 0.02 0.3242 1
Leishmania major cathepsin L-like protease 0.02 0.3242 0.906
Brugia malayi Papain family cysteine protease containing protein 0.0051 0.07 0.07
Toxoplasma gondii cathepsin B 0.022 0.3576 1
Onchocerca volvulus Cathepsin L homolog 0.0051 0.07 0.184
Trypanosoma cruzi cysteine peptidase, putative 0.02 0.3242 0.3227
Schistosoma mansoni cathepsin s 0.0061 0.0867 0.0804
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.02 0.3242 0.906
Mycobacterium tuberculosis Possible metal cation transporting P-type ATPase CtpH 0.0012 0.0034 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0051 0.07 0.1909
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0111 0.173 0.1673
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0017 0.0127 0.0296
Leishmania major cathepsin L-like protease 0.02 0.3242 0.906
Trypanosoma cruzi cysteine protease, putative 0.0111 0.173 0.1713
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0051 0.07 0.184
Schistosoma mansoni sodium / potassium ATPase beta chain 0.0026 0.0273 0.0206
Entamoeba histolytica cysteine proteinase 2 0.0111 0.173 0.5337
Schistosoma mansoni transmemberane protein 0.0026 0.0273 0.0206
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.02 0.3242 0.906
Echinococcus multilocularis cathepsin l cysteine peptidase 0.02 0.3242 0.3195
Onchocerca volvulus 0.02 0.3242 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0051 0.07 0.07
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0017 0.0127 0.0106
Echinococcus granulosus cathepsin L cysteine proteinase 0.02 0.3242 0.3195
Loa Loa (eye worm) papain family cysteine protease containing protein 0.02 0.3242 0.3242
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0051 0.07 0.1909
Trypanosoma cruzi cysteine peptidase, putative 0.0111 0.173 0.1713
Echinococcus granulosus cathepsin l1 0.02 0.3242 0.3195
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0026 0.0273 0.0206
Giardia lamblia Cysteine protease 0.0051 0.07 0.1799
Loa Loa (eye worm) hypothetical protein 0.0026 0.0273 0.0273
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0051 0.07 0.184
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0051 0.07 0.1989
Giardia lamblia Cathepsin L-like protease 0.0051 0.07 0.1799
Plasmodium vivax vivapain-2 0.02 0.3242 1
Brugia malayi cathepsin L precursor 0.0051 0.07 0.07
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0051 0.07 0.07
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0598 1 1
Entamoeba histolytica cysteine protease, putative 0.0111 0.173 0.5337
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0051 0.07 0.184
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.0026 0.0273 0.0206
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0017 0.0127 0.039
Echinococcus multilocularis nervana 2 0.0026 0.0273 0.0206
Leishmania major cathepsin L-like protease 0.02 0.3242 0.906
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0012 0.0034 0.0034
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0017 0.0127 0.039
Brugia malayi Cathepsin L-like precursor 0.014 0.2211 0.2211
Trichomonas vaginalis cation-transporting ATPase, putative 0.0017 0.0127 0.0296
Plasmodium falciparum serine repeat antigen 8 0.0051 0.07 0.1989
Echinococcus multilocularis cathepsin b 0.0598 1 1
Plasmodium vivax serine-repeat antigen (SERA) 0.0051 0.07 0.184
Leishmania major P-type ATPase, putative 0.0014 0.0069 0.0134
Brugia malayi cathepsin F-like cysteine proteinase 0.0061 0.0867 0.0867
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0051 0.07 0.184
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0017 0.0127 0.039
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0051 0.07 0.0635
Leishmania major cathepsin L-like protease 0.02 0.3242 0.906
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0111 0.173 0.1673
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0017 0.0127 0.0296
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0017 0.0127 0.0296
Entamoeba histolytica cysteine protease, putative 0.0051 0.07 0.2158
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.02 0.3242 0.906
Entamoeba histolytica cysteine protease, putative 0.0051 0.07 0.2158
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0051 0.07 0.184
Leishmania major cathepsin L-like protease 0.02 0.3242 0.906
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0051 0.07 0.0635
Loa Loa (eye worm) hypothetical protein 0.0026 0.0273 0.0273
Plasmodium vivax unspecified product 0.0051 0.07 0.184
Loa Loa (eye worm) ctsf protein 0.02 0.3242 0.3242
Echinococcus granulosus cathepsin l1 0.014 0.2211 0.2157
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0051 0.07 0.1909
Plasmodium falciparum cysteine proteinase falcipain 3 0.02 0.3242 1
Entamoeba histolytica cysteine protease, putative 0.0111 0.173 0.5337
Entamoeba histolytica cysteine protease, putative 0.0111 0.173 0.5337
Giardia lamblia Cathepsin B precursor 0.0051 0.07 0.1799
Brugia malayi Papain family cysteine protease containing protein 0.0111 0.173 0.173
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.02 0.3242 0.906
Plasmodium falciparum cysteine proteinase falcipain 1 0.0111 0.173 0.5237
Schistosoma mansoni ATPase 0.0017 0.0127 0.0058
Giardia lamblia Cysteine protease 0.0051 0.07 0.1799
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0051 0.07 0.0635
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0026 0.0273 0.0206
Onchocerca volvulus 0.02 0.3242 1
Giardia lamblia Cathepsin L precursor 0.0051 0.07 0.1799
Echinococcus granulosus cathepsin L 0.0051 0.07 0.0635
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.173 0.4808
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0026 0.0273 0.0206
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0017 0.0127 0.0296
Echinococcus multilocularis cathepsin L cysteine protease 0.02 0.3242 0.3195
Brugia malayi cathepsin Z-like cysteine proteinase 0.0051 0.07 0.07
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.02 0.3242 0.906
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0017 0.0127 0.0296
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0051 0.07 0.1799
Onchocerca volvulus 0.02 0.3242 1
Entamoeba histolytica cysteine protease, putative 0.0111 0.173 0.5337
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0051 0.07 0.2158
Loa Loa (eye worm) cathepsin B 0.022 0.3576 0.3576
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0051 0.07 0.1909
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.022 0.3576 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0061 0.0867 0.0867
Brugia malayi E1-E2 ATPase family protein 0.0011 0.0021 0.0021
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0017 0.0127 0.0127
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0014 0.0069 0.0134
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.02 0.3242 0.906
Entamoeba histolytica cysteine proteinase, putative 0.0111 0.173 0.5337
Trypanosoma cruzi cysteine peptidase, putative 0.0061 0.0867 0.0848
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.02 0.3242 0.906
Giardia lamblia Cathepsin B precursor 0.0051 0.07 0.1799
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.0017 0.0127 0.0058
Brugia malayi Na,K-ATPase alpha subunit 0.0017 0.0127 0.0127
Plasmodium vivax unspecified product 0.0111 0.173 0.5148
Onchocerca volvulus Cathepsin L homolog 0.02 0.3242 1
Giardia lamblia Cathepsin B precursor 0.0051 0.07 0.1799
Toxoplasma gondii cathepsin CPC2 0.0051 0.07 0.1909
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0051 0.07 0.1909
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.02 0.3242 0.906
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0017 0.0127 0.0165
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.02 0.3242 0.906
Plasmodium vivax vivapain-3 0.0111 0.173 0.5148
Loa Loa (eye worm) hypothetical protein 0.014 0.2211 0.2211
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.02 0.3242 0.906
Brugia malayi Cathepsin L-like precursor 0.02 0.3242 0.3242
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.022 0.3576 1
Onchocerca volvulus 0.0026 0.0273 0.047
Echinococcus granulosus cathepsin l cysteine peptidase 0.02 0.3242 0.3195
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0051 0.07 0.1909
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0051 0.07 0.1909
Loa Loa (eye worm) hypothetical protein 0.0051 0.07 0.07
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0051 0.07 0.1909
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.022 0.3576 0.3562
Entamoeba histolytica cysteine proteinase, putative 0.0111 0.173 0.5337
Leishmania major calcium-transporting ATPase, putative 0.0014 0.0069 0.0134
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0051 0.07 0.1799
Echinococcus multilocularis cathepsin L cysteine protease 0.02 0.3242 0.3195
Loa Loa (eye worm) hypothetical protein 0.0061 0.0867 0.0867
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0017 0.0127 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0051 0.07 0.1799
Echinococcus multilocularis cathepsin l cysteine peptidase 0.02 0.3242 0.3195
Onchocerca volvulus Cathepsin F homolog 0.02 0.3242 1
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0017 0.0127 0.0296
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0051 0.07 0.07
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.02 0.3242 0.906
Entamoeba histolytica cysteine protease, putative 0.0111 0.173 0.5337
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0017 0.0127 0.0296
Entamoeba histolytica cysteine protease, putative 0.0051 0.07 0.2158
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0111 0.173 0.1673
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.014 0.2211 0.6161
Schistosoma mansoni ATPase 0.0017 0.0127 0.0058
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0014 0.0069 0.0069
Echinococcus granulosus nervana 2 0.0026 0.0273 0.0206
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.02 0.3242 0.906
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.02 0.3242 0.3242
Brugia malayi Papain family cysteine protease containing protein 0.0111 0.173 0.173
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0017 0.0127 0.0058
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0051 0.07 0.0635
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.02 0.3242 0.906
Loa Loa (eye worm) hypothetical protein 0.0598 1 1
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0017 0.0127 0.0106
Giardia lamblia Cathepsin L precursor 0.0051 0.07 0.1799

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.8 uM Inhibition of K+ -stimulated gastric ATPase activity was measured using lyophilized gastric vesicles at pH 7 ChEMBL. 7629813
IC50 (binding) = 2.8 uM Inhibition of K+ -stimulated gastric ATPase activity was measured using lyophilized gastric vesicles at pH 7 ChEMBL. 7629813
Inhibition (functional) = 61 % Inhibition of pentagastrin-stimulated gastric acid secretion at a single dose of 10 micromol/kg. ChEMBL. 7629813
Inhibition (functional) = 61 % Inhibition of pentagastrin-stimulated gastric acid secretion at a single dose of 10 micromol/kg. ChEMBL. 7629813

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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