TDR Targets

Basic information

Technical information

TDR Targets ID: 151029
Name: 1-[6-hydroxy-8-methoxy-4-(2-methylanilino)qui nolin-3-yl]butan-1-one
MW: 350.411 | Formula: C21H22N2O3
H donors: 2 H acceptors: 3 LogP: 4.78 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCC(=O)c1cnc2c(c1Nc1ccccc1C)cc(cc2OC)O
InChi: 1S/C21H22N2O3/c1-4-7-18(25)16-12-22-21-15(10-14(24)11-19(21)26-3)20(16)23-17-9-6-5-8-13(17)2/h5-6,8-12,24H,4,7H2,1-3H3,(H,22,23)
InChiKey: NHFIAXWNEMQAPR-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

1-[6-hydroxy-8-methoxy-4-(2-methylanilino)-3-quinolyl]butan-1-one
1-[6-hydroxy-8-methoxy-4-(2-methylanilino)-3-quinolyl]-1-butanone
1-[6-hydroxy-8-methoxy-4-[(2-methylphenyl)amino]quinolin-3-yl]butan-1-one
1-[6-hydroxy-8-methoxy-4-(o-toluidino)-3-quinolyl]butan-1-one
1-[6-hydroxy-8-methoxy-4-[(2-methylphenyl)amino]-3-quinolyl]butan-1-one

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	endochitinase	0.0089	0.1108	0.1116
Entamoeba histolytica	protein kinase, putative	0.0093	0.1159	0.1471
Echinococcus multilocularis	Tetracycline resistance leader peptide, TetL	0.0017	0.0103	0.0074
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.0565	0.7706	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0103	0.0103
Leishmania major	serine/threonine kinase-like protein, putative	0.0131	0.1679	0.2162
Trypanosoma brucei	Mitogen-activated protein kinase 10, putative	0.0131	0.1679	0.2162
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0017	0.0103	0.0112
Trichomonas vaginalis	AGC family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	AGC family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trypanosoma brucei	calcium-translocating P-type ATPase	0.0014	0.0056	0.005
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0017	0.0103	0.0096
Toxoplasma gondii	hypothetical protein	0.0127	0.1625	0.2092
Echinococcus multilocularis	Cell division cycle 2 protein kinase	0.0131	0.1679	0.1667
Brugia malayi	Protein kinase domain containing protein	0.0093	0.1159	0.1167
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0093	0.1159	0.1485
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0017	0.0103	0.0096
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0026	0.0222	0.0195
Leishmania major	P-type ATPase, putative	0.0014	0.0056	0.005
Echinococcus multilocularis	calcium transporting atpase	0.0014	0.0056	0.0026
Trichomonas vaginalis	CMGC family protein kinase	0.0131	0.1679	0.2162
Onchocerca volvulus		0.0127	0.1625	1
Leishmania major	calcium-transporting ATPase, putative	0.0014	0.0056	0.005
Entamoeba histolytica	protein kinase, putative	0.0093	0.1159	0.1471
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0026	0.0222	0.0195
Trichomonas vaginalis	AGC family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Brugia malayi	E1-E2 ATPase family protein	0.0011	0.0017	0.0017
Echinococcus granulosus	Pfam-B_8186 domain containing protein	0.0125	0.1605	0.1592
Trichomonas vaginalis	CMGC family protein kinase	0.0565	0.7706	1
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0026	0.0222	0.0195
Echinococcus multilocularis	dual specificity	0.0093	0.1159	0.1141
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Echinococcus granulosus	calcium transporting atpase	0.0014	0.0056	0.0026
Leishmania major	mitogen-activated protein kinase, putative,map kinase-like protein	0.0131	0.1679	0.2162
Onchocerca volvulus	Putative endochitinase	0.0012	0.003	0.0182
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0093	0.1159	0.1485
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Echinococcus granulosus	Ca2 transporting ATPase plasma membrane	0.0014	0.0056	0.0026
Loa Loa (eye worm)	Na,K-ATPase alpha subunit	0.0017	0.0103	0.0103
Schistosoma mansoni	serine/threonine protein kinase	0.0565	0.7706	0.7757
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0725	0.9926	1
Giardia lamblia	Plasma membrane calcium-transporting ATPase 2	0.0017	0.0103	0.0062
Plasmodium vivax	P-type ATPase4, putative	0.0017	0.0103	0.0445
Leishmania major	calcium-translocating P-type ATPase	0.0017	0.0103	0.0112
Echinococcus granulosus	nervana 2	0.0026	0.0222	0.0195
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0131	0.1679	0.2162
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Onchocerca volvulus	Putative endochitinase	0.0089	0.1108	0.6817
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0014	0.0056	0.005
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Onchocerca volvulus	Putative chitinase	0.0012	0.003	0.0182
Trichomonas vaginalis	AGC family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	CMGC family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Echinococcus granulosus	sarco:endoplasmic reticulum calcium ATPase	0.0017	0.0103	0.0074
Echinococcus granulosus	dual specificity	0.0565	0.7706	0.7757
Entamoeba histolytica	protein kinase domain containing protein	0.0093	0.1159	0.1471
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	CMGC family protein kinase	0.0565	0.7706	1
Plasmodium falciparum	non-SERCA-type Ca2+ -transporting P-ATPase	0.0017	0.0103	0.0445
Onchocerca volvulus	Putative endochitinase	0.0089	0.1108	0.6817
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0222	0.0222
Loa Loa (eye worm)	glycosyl hydrolase family 18 protein	0.0012	0.003	0.003
Echinococcus granulosus	Cell division cycle 2 protein kinase	0.0131	0.1679	0.1667
Schistosoma mansoni	hypothetical protein	0.0127	0.1625	0.1613
Echinococcus multilocularis	cyclin dependent kinase 9	0.0131	0.1679	0.1667
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0725	0.9926	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0103	0.0103
Echinococcus granulosus	Na:K ATPase alpha subunit	0.0014	0.0056	0.0026
Entamoeba histolytica	hypothetical protein	0.0093	0.1159	0.1471
Echinococcus granulosus	mitogen activated protein kinase 15	0.0131	0.1679	0.1667
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Brugia malayi	Membrane calcium atpase protein 3	0.0014	0.0056	0.0056
Trypanosoma cruzi	Calcium ATPase SERCA-like	0.0017	0.0103	0.0112
Echinococcus multilocularis	plasma membrane calcium transporting ATPase	0.0014	0.0056	0.0026
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0026	0.0222	0.0195
Toxoplasma gondii	sarco/endoplasmic reticulum Ca2+-ATPase	0.0017	0.0103	0.0112
Echinococcus multilocularis	dual specificity	0.0565	0.7706	0.7757
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0026	0.0222	0.0195
Leishmania major	chitinase	0.008	0.0974	0.1245
Entamoeba histolytica	protein kinase domain containing protein	0.0565	0.7706	1
Echinococcus granulosus	dual specificity	0.0565	0.7706	0.7757
Trichomonas vaginalis	protein kinase atmrk1, putative	0.0131	0.1679	0.2162
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0725	0.9926	1
Trichomonas vaginalis	AGC family protein kinase	0.0131	0.1679	0.2162
Loa Loa (eye worm)	haspin protein kinase	0.0725	0.9926	0.9926
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	AGC family protein kinase	0.0131	0.1679	0.2162
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0017	0.0103	0.0112
Entamoeba histolytica	hypothetical protein	0.0125	0.1605	0.2052
Schistosoma mansoni	hypothetical protein	0.0725	0.9926	1
Echinococcus granulosus	plasma membrane calcium transporting ATPase	0.0014	0.0056	0.0026
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Brugia malayi	Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type	0.0014	0.0056	0.0056
Trichomonas vaginalis	CMGC family protein kinase	0.0565	0.7706	1
Mycobacterium ulcerans	chitinase/cellulase	0.0068	0.0811	1
Loa Loa (eye worm)	haspin protein kinase	0.0725	0.9926	0.9926
Schistosoma mansoni	calcium-transporting atpase 2 (atpase 2)	0.0014	0.0056	0.0026
Brugia malayi	hypothetical protein	0.0725	0.9926	1
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0725	0.9926	1
Brugia malayi	Glycosyl hydrolases family 18 protein	0.0012	0.003	0.003
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Echinococcus multilocularis	sarco:endoplasmic reticulum calcium ATPase	0.0017	0.0103	0.0074
Mycobacterium ulcerans	PE-PGRS family protein	0.0012	0.003	0.0032
Brugia malayi	Endochitinase	0.0012	0.003	0.003
Loa Loa (eye worm)	sodium/potassium-transporting ATPase subunit alpha	0.0012	0.0027	0.0027
Brugia malayi	Hepatocellular carcinoma-associated antigen 59 family protein	0.0127	0.1625	0.1638
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0131	0.1679	0.1691
Onchocerca volvulus		0.0026	0.0222	0.1368
Schistosoma mansoni	ATPase	0.0017	0.0103	0.0074
Echinococcus multilocularis	Na+:K+ ATPase alpha subunit	0.0014	0.0056	0.0026
Toxoplasma gondii	calcium-translocating P-type ATPase, PMCA-type protein	0.0017	0.0103	0.0112
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0017	0.0103	0.0096
Schistosoma mansoni	calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump)	0.0014	0.0056	0.0026
Trichomonas vaginalis	cation-transporting ATPase fungi, putative	0.0017	0.0103	0.0112
Plasmodium falciparum	calcium-transporting ATPase	0.0014	0.0056	0.0158
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.0565	0.7706	1
Echinococcus multilocularis	Ca2+ transporting ATPase plasma membrane	0.0014	0.0056	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0811	0.0811
Onchocerca volvulus	Putative endochitinase	0.008	0.0974	0.5995
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Schistosoma mansoni	na+/k+ atpase alpha subunit	0.0014	0.0056	0.0026
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0131	0.1679	0.2162
Trichomonas vaginalis	G protein-coupled receptor kinase, putative	0.0131	0.1679	0.2162
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1625	0.1625
Mycobacterium tuberculosis	Possible chitinase	0.0068	0.0811	1
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0093	0.1159	0.1485
Echinococcus granulosus	serine:threonine protein kinase NLK	0.0131	0.1679	0.1667
Schistosoma mansoni	sodium / potassium ATPase beta chain	0.0026	0.0222	0.0195
Schistosoma mansoni	calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump)	0.0014	0.0056	0.0026
Trichomonas vaginalis	CMGC family protein kinase	0.0565	0.7706	1
Echinococcus multilocularis	Hepatocellular carcinoma associated antigen 59	0.0127	0.1625	0.1613
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1084	0.1084
Toxoplasma gondii	plasma membrane-type Ca(2+)-ATPase A1 PMCAA1	0.0014	0.0056	0.005
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0026	0.0222	0.0195
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0026	0.0222	0.0195
Echinococcus granulosus	Hepatocellular carcinoma associated antigen 59	0.0127	0.1625	0.1613
Entamoeba histolytica	protein kinase, putative	0.0565	0.7706	1
Echinococcus multilocularis	nervana 2	0.0026	0.0222	0.0195
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trypanosoma brucei	protein kinase, putative	0.0131	0.1679	0.2162
Brugia malayi	Sodium/potassium-transporting ATPase alpha chain, putative	0.0012	0.0027	0.0027
Onchocerca volvulus		0.0017	0.0103	0.0633
Echinococcus multilocularis	sodium:potassium transporting ATPase subunit	0.0026	0.0222	0.0195
Giardia lamblia	Kinase, CMGC DYRK	0.0565	0.7706	1
Echinococcus granulosus	cyclin dependent kinase 9	0.0131	0.1679	0.1667
Schistosoma mansoni	plasma membrane calcium-transporting atpase	0.0014	0.0056	0.0026
Echinococcus granulosus	dual specificity	0.0565	0.7706	0.7757
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0131	0.1679	0.2162
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0565	0.7706	0.7706
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0565	0.7706	1
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0014	0.0056	0.005
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0026	0.0222	0.0195
Schistosoma mansoni	ATPase	0.0017	0.0103	0.0074
Echinococcus multilocularis	nervana 2	0.0026	0.0222	0.0195
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0131	0.1679	1
Echinococcus granulosus	nervana 2	0.0026	0.0222	0.0195
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0093	0.1159	0.1159
Mycobacterium ulcerans	metal cation transporter p-type ATPase a	0.0017	0.0103	0.0968
Schistosoma mansoni	serine/threonine protein kinase	0.0131	0.1679	0.1667
Trypanosoma brucei	calcium motive p-type ATPase, putative	0.0014	0.0056	0.005
Loa Loa (eye worm)	CMGC/CDK/CRK7 protein kinase	0.0131	0.1679	0.1679
Trichomonas vaginalis	chitinase, putative	0.0012	0.003	0.0016
Echinococcus multilocularis	nervana 2	0.0026	0.0222	0.0195
Brugia malayi	endochitinase	0.008	0.0974	0.0982
Giardia lamblia	Kinase, CAMK CAMKL	0.0131	0.1679	0.2122
Plasmodium falciparum	MO15-related protein kinase	0.0131	0.1679	1
Plasmodium vivax	serine/threonine protein kinase KIN, putative	0.0131	0.1679	1
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0565	0.7706	1
Echinococcus multilocularis	nervana 2	0.0026	0.0222	0.0195
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.0103	0.0112
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0014	0.0056	0.005
Onchocerca volvulus		0.0026	0.0222	0.1368
Trichomonas vaginalis	serine/threonine kinase, putative	0.0131	0.1679	0.2162
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 1	0.0017	0.0103	0.0112
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.0103	0.0112
Onchocerca volvulus	Putative endochitinase	0.0089	0.1108	0.6817
Entamoeba histolytica	calcium-transporting P-type ATPase, putative	0.0017	0.0103	0.0096
Entamoeba histolytica	cell division protein kinase 2, putative	0.0131	0.1679	0.2149
Mycobacterium ulcerans	metal cation-transporting p-type ATPase F, CtpF	0.0017	0.0103	0.0968
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Brugia malayi	Na,K-ATPase alpha subunit	0.0017	0.0103	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0012	0.003	0.003
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Echinococcus granulosus	dual specificity	0.0093	0.1159	0.1141
Loa Loa (eye worm)	microfilarial chitinase	0.0078	0.0945	0.0945
Echinococcus granulosus	nervana 2	0.0026	0.0222	0.0195
Echinococcus multilocularis	serine:threonine protein kinase NLK	0.0131	0.1679	0.1667
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0093	0.1159	0.1485
Leishmania major	calcium motive p-type ATPase, putative	0.0014	0.0056	0.005
Brugia malayi	GSG2	0.0725	0.9926	1
Loa Loa (eye worm)	chitinase I	0.008	0.0974	0.0974
Brugia malayi	hypothetical protein	0.0012	0.003	0.003
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.0103	0.0112
Echinococcus multilocularis	dual specificity	0.0565	0.7706	0.7757
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0017	0.0103	0.0112
Loa Loa (eye worm)	E1-E2 ATPase	0.0011	0.0017	0.0017
Echinococcus multilocularis	dual specificity	0.0565	0.7706	0.7757
Entamoeba histolytica	protein kinase domain containing protein	0.0131	0.1679	0.2149
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trypanosoma brucei	vacuolar-type Ca2+-ATPase, putative	0.0017	0.0103	0.0112
Plasmodium vivax	hypothetical protein, conserved	0.0127	0.1625	0.9675
Echinococcus multilocularis	hypothetical protein	0.0125	0.1605	0.1592
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1084	0.1084
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0222	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1625	0.1625
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0017	0.0103	0.0112
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0131	0.1679	0.1679
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.0103	0.0112
Loa Loa (eye worm)	cuticular endochitinase	0.008	0.0974	0.0974
Plasmodium falciparum	conserved protein, unknown function	0.0127	0.1625	0.9675
Onchocerca volvulus		0.0127	0.1625	1
Schistosoma mansoni	Na+/K+ transporting ATPase subunit alpha	0.0017	0.0103	0.0074
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0017	0.0103	0.0112
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0017	0.0103	0.0112
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Schistosoma mansoni	serine/threonine kinase	0.0131	0.1679	0.1667
Plasmodium vivax	calcium-transporting ATPase, putative	0.0017	0.0103	0.0445
Brugia malayi	Protein kinase domain containing protein	0.0131	0.1679	0.1691
Trichomonas vaginalis	AGC family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	CMGC family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0026	0.0222	0.0195
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Schistosoma mansoni	plasma membrane calcium-transporting atpase	0.0014	0.0056	0.0026
Echinococcus granulosus	nervana 2	0.0026	0.0222	0.0195
Trichomonas vaginalis	CMGC family protein kinase	0.0131	0.1679	0.2162
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Schistosoma mansoni	protein kinase	0.0131	0.1679	0.1667
Brugia malayi	hypothetical protein	0.0012	0.003	0.003
Toxoplasma gondii	P-type ATPase4, putative	0.0017	0.0103	0.0112
Brugia malayi	Glycosyl hydrolases family 18 protein	0.0012	0.003	0.003
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 2	0.0017	0.0103	0.0112
Mycobacterium ulcerans	chitinase/cellulase	0.0068	0.0811	1
Brugia malayi	Cell division protein kinase 2	0.0131	0.1679	0.1691
Brugia malayi	Endochitinase	0.0089	0.1108	0.1116
Echinococcus granulosus	plasma membrane calcium transporting ATPase 2	0.0017	0.0103	0.0074
Echinococcus granulosus	calcium transporting ATPase type 2C member	0.0017	0.0103	0.0074
Schistosoma mansoni	transmemberane protein	0.0026	0.0222	0.0195
Onchocerca volvulus	Putative endochitinase	0.008	0.0974	0.5995
Entamoeba histolytica	chitinase, putative	0.008	0.0974	0.1231
Giardia lamblia	Kinase, CAMK CAMKL	0.0131	0.1679	0.2122
Echinococcus multilocularis	calcium transporting ATPase type 2C member	0.0017	0.0103	0.0074
Echinococcus granulosus	sodium:potassium transporting ATPase subunit	0.0026	0.0222	0.0195
Trichomonas vaginalis	CMGC family protein kinase	0.0565	0.7706	1
Mycobacterium leprae	PROBABLE CATION-TRANSPORTER ATPASE I CTPI	0.0012	0.0027	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0131	0.1679	0.2162
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0017	0.0103	0.0112
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.1159	0.1141
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.0103	0.0112
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0725	0.9926	1
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0565	0.7706	0.7763
Trichomonas vaginalis	CMGC family protein kinase	0.0565	0.7706	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.003	0.003
Schistosoma mansoni	hypothetical protein	0.0125	0.1605	0.1592
Giardia lamblia	Kinase, CAMK CAMKL	0.0131	0.1679	0.2122

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.3 uM	Inhibition of K+ -stimulated gastric ATPase activity was measured using lyophilized gastric vesicles at pH 7	ChEMBL.	7629813
IC50 (binding)	= 1.3 uM	Inhibition of K+ -stimulated gastric ATPase activity was measured using lyophilized gastric vesicles at pH 7	ChEMBL.	7629813
Inhibition (functional)	= 63 %	Inhibition of pentagastrin-stimulated gastric acid secretion at a single dose of 10 micromol/kg.	ChEMBL.	7629813
Inhibition (functional)	= 63 %	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

PubChem: 10360521

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 151029