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

Hover on a compound node to display the structore

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
Schistosoma japonicum Sodium/potassium-transporting ATPase subunit beta, putative Potassium-transporting ATPase   290 aa 256 aa 25.4 %
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit Potassium-transporting ATPase   290 aa 266 aa 24.1 %
Echinococcus granulosus nervana 2 Potassium-transporting ATPase   290 aa 280 aa 29.3 %
Echinococcus granulosus sodium:potassium dependent atpase beta subunit Potassium-transporting ATPase   290 aa 267 aa 27.3 %
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit Potassium-transporting ATPase   290 aa 306 aa 26.1 %
Schistosoma japonicum Sodium/potassium-transporting ATPase subunit beta-1, putative Potassium-transporting ATPase   290 aa 258 aa 24.4 %
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit Potassium-transporting ATPase   290 aa 267 aa 27.3 %
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 280 aa 29.6 %
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 %
Loa Loa (eye worm) hypothetical protein Potassium-transporting ATPase   290 aa 301 aa 25.9 %
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 %
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 mansoni sodium/potassium-dependent atpase beta subunit Potassium-transporting ATPase   290 aa 254 aa 23.6 %
Obtained from network model

Ranking Plot

Putative Targets List

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

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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.