TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 367.389 | Formula: C17H16F3N3OS
H donors: 2 H acceptors: 2 LogP: 4.2 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: [O-][S+](c1nc2c([nH]1)ccc(c2)C(F)(F)F)Cc1c(C)ccc(c1N)C
InChi: 1S/C17H16F3N3OS/c1-9-3-4-10(2)15(21)12(9)8-25(24)16-22-13-6-5-11(17(18,19)20)7-14(13)23-16/h3-7H,8,21H2,1-2H3,(H,22,23)
InChiKey: KSVYVVBXEROINW-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ATPase, H+/K+ exchanging, beta polypeptide	Starlite/ChEMBL	References
Homo sapiens	ATPase, H+/K+ exchanging, alpha polypeptide	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127003	All targets in OG5_127003
Schistosoma japonicum	Sodium/potassium-transporting ATPase subunit alpha, putative	Get druggable targets OG5_127003	All targets in OG5_127003
Echinococcus granulosus	Na:K ATPase alpha subunit	Get druggable targets OG5_127003	All targets in OG5_127003
Schistosoma mansoni	na+/k+ atpase alpha subunit	Get druggable targets OG5_127003	All targets in OG5_127003
Schistosoma japonicum	Sodium/potassium-transporting ATPase subunit alpha, putative	Get druggable targets OG5_127003	All targets in OG5_127003
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127003	All targets in OG5_127003
Schistosoma mansoni	Na+/K+ transporting ATPase subunit alpha	Get druggable targets OG5_127003	All targets in OG5_127003
Giardia lamblia	Potassium-transporting ATPase alpha chain 1	Get druggable targets OG5_127003	All targets in OG5_127003
Schistosoma japonicum	Sodium/potassium-transporting ATPase subunit alpha, putative	Get druggable targets OG5_127003	All targets in OG5_127003
Brugia malayi	Na,K-ATPase alpha subunit	Get druggable targets OG5_127003	All targets in OG5_127003
Mycobacterium leprae	PROBABLE CATION-TRANSPORTER ATPASE I CTPI	Get druggable targets OG5_127003	All targets in OG5_127003
Candida albicans	similar to Pichia farinosa Acu1p, putative P-type ATPase involved in high affinity uptake of potassium or sodium (CAF22247)	Get druggable targets OG5_127003	All targets in OG5_127003
Echinococcus multilocularis	Na+:K+ ATPase alpha subunit	Get druggable targets OG5_127003	All targets in OG5_127003
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127003	All targets in OG5_127003
Loa Loa (eye worm)	sodium/potassium-transporting ATPase subunit alpha	Get druggable targets OG5_127003	All targets in OG5_127003
Schistosoma japonicum	ko:K01538 Na+/K+-exchanging ATPase [EC3.6.3.9], putative	Get druggable targets OG5_127003	All targets in OG5_127003
Onchocerca volvulus		Get druggable targets OG5_127003	All targets in OG5_127003
Mycobacterium ulcerans	metal cation transporter p-type ATPase a	Get druggable targets OG5_127003	All targets in OG5_127003
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127003	All targets in OG5_127003
Schistosoma japonicum	Sodium/potassium-transporting ATPase subunit alpha-1 precursor, putative	Get druggable targets OG5_127003	All targets in OG5_127003
Brugia malayi	Sodium/potassium-transporting ATPase alpha chain, putative	Get druggable targets OG5_127003	All targets in OG5_127003
Candida albicans	similar to Pichia farinosa Acu1p, putative P-type ATPase involved in high affinity uptake of potassium or sodium (CAF22247)	Get druggable targets OG5_127003	All targets in OG5_127003
Loa Loa (eye worm)	Na,K-ATPase alpha subunit	Get druggable targets OG5_127003	All targets in OG5_127003
Schistosoma japonicum	Sodium/potassium-transporting ATPase subunit alpha, putative	Get druggable targets OG5_127003	All targets in OG5_127003

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 2	ATPase, H+/K+ exchanging, alpha polypeptide	1035 aa	861 aa	26.8 %
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	ATPase, H+/K+ exchanging, beta polypeptide	291 aa	264 aa	28.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0037	0.2694	1
Echinococcus multilocularis	glutaminyl peptide cyclotransferase	0.0111	1	1
Echinococcus multilocularis	Na+:K+ ATPase alpha subunit	0.004	0.2947	0.2653
Schistosoma mansoni	sodium / potassium ATPase beta chain	0.0077	0.6623	0.6482
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0015	0.0537	0.1994
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0037	0.2694	0.9488
Brugia malayi	Na,K-ATPase alpha subunit	0.004	0.2947	0.2947
Echinococcus multilocularis	nervana 2	0.0077	0.6623	0.6482
Leishmania major	glutaminyl cyclase, putative	0.0018	0.0801	0.1745
Trypanosoma cruzi	cytochrome P450, putative	0.0037	0.2694	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.6623	0.6623
Trypanosoma cruzi	glutaminyl cyclase, putative	0.0018	0.0801	0.2973
Trypanosoma cruzi	glutaminyl cyclase, putative	0.0018	0.0801	0.2973
Echinococcus multilocularis	Ca2+ transporting ATPase plasma membrane	0.0015	0.0537	0.0142
Brugia malayi	nicalin	0.0018	0.0801	0.0801
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0037	0.2694	1
Mycobacterium ulcerans	lipoprotein aminopeptidase LpqL	0.0018	0.0801	0.116
Brugia malayi	Cytochrome P450 family protein	0.0037	0.2694	0.2694
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0037	0.2694	0.9488
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0037	0.2694	0.9488
Echinococcus granulosus	calcium transporting atpase	0.0015	0.0537	0.0142
Schistosoma mansoni	plasma membrane calcium-transporting atpase	0.0015	0.0537	0.0142
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0077	0.6623	0.6482
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0015	0.0537	0.3416
Echinococcus granulosus	Ca2 transporting ATPase plasma membrane	0.0015	0.0537	0.0142
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0037	0.2694	0.9488
Echinococcus granulosus	plasma membrane calcium transporting ATPase 2	0.0015	0.0537	0.0142
Toxoplasma gondii	P-type ATPase4, putative	0.0015	0.0537	0.0596
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0037	0.2694	1
Plasmodium falciparum	non-SERCA-type Ca2+ -transporting P-ATPase	0.0015	0.0537	0.5
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0037	0.2694	1
Entamoeba histolytica	calcium-transporting P-type ATPase, putative	0.0015	0.0537	1
Brugia malayi	FXNA	0.0018	0.0801	0.0801
Onchocerca volvulus	Glutaminyl cyclase homolog	0.0111	1	1
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0037	0.2694	1
Loa Loa (eye worm)	CYP4Cod1	0.0037	0.2694	0.2694
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0037	0.2694	1
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0015	0.0537	0.1994
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0037	0.2694	0.9488
Leishmania major	cytochrome p450-like protein	0.0037	0.2694	1
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0077	0.6623	0.6482
Onchocerca volvulus		0.0077	0.6623	0.6329
Brugia malayi	Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type	0.0015	0.0537	0.0537
Echinococcus multilocularis	sodium:potassium transporting ATPase subunit	0.0077	0.6623	0.6482
Echinococcus granulosus	nervana 2	0.0077	0.6623	0.6482
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0077	0.6623	0.6482
Brugia malayi	Cytochrome P450 family protein	0.0037	0.2694	0.2694
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0037	0.2694	0.9488
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0801	1
Trypanosoma brucei	cytochrome P450, putative	0.0037	0.2694	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0037	0.2694	0.2694
Leishmania major	calcium motive p-type ATPase, putative	0.0015	0.0537	0.0596
Echinococcus multilocularis	nervana 2	0.0077	0.6623	0.6482
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0015	0.0537	0.3416
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0037	0.2694	0.9488
Loa Loa (eye worm)	sodium/potassium-transporting ATPase subunit alpha	0.0034	0.241	0.241
Mycobacterium leprae	putative cytochrome p450	0.0037	0.2694	1
Echinococcus granulosus	Na:K ATPase alpha subunit	0.004	0.2947	0.2653
Leishmania major	P-type ATPase, putative	0.0015	0.0537	0.0596
Echinococcus multilocularis	calcium transporting atpase	0.0015	0.0537	0.0142
Echinococcus granulosus	nervana 2	0.0077	0.6623	0.6482
Schistosoma mansoni	glutaminyl-peptide cyclotransferase-related	0.0018	0.0801	0.0417
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0037	0.2694	1
Brugia malayi	Membrane calcium atpase protein 3	0.0015	0.0537	0.0537
Giardia lamblia	Potassium-transporting ATPase alpha chain 1	0.004	0.2947	1
Trypanosoma brucei	glutaminyl cyclase, putative	0.0018	0.0801	0.2973
Trypanosoma cruzi	Calcium ATPase SERCA-like	0.0014	0.04	0.1487
Mycobacterium ulcerans	metal cation transporter p-type ATPase a	0.0038	0.281	1
Schistosoma mansoni	nicalin (M28 family)	0.0018	0.0801	0.0417
Loa Loa (eye worm)	hypothetical protein	0.0031	0.2079	0.2079
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0037	0.2694	0.9488
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0037	0.2694	1
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0014	0.04	0.1487
Loa Loa (eye worm)	leucyl aminopeptidase	0.0018	0.0801	0.0801
Echinococcus multilocularis	n acetylated alpha linked acidic dipeptidase 2	0.0018	0.0801	0.0417
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0077	0.6623	0.6482
Schistosoma mansoni	Na+/K+ transporting ATPase subunit alpha	0.004	0.2947	0.2653
Toxoplasma gondii	peptidase, M28 family protein	0.0018	0.0801	0.1745
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0801	0.0801
Echinococcus granulosus	glutaminyl peptide cyclotransferase	0.0111	1	1
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0037	0.2694	1
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0014	0.04	0.1487
Echinococcus granulosus	nervana 2	0.0077	0.6623	0.6482
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 2	0.0014	0.04	0.1487
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0037	0.2694	1
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0037	0.2694	0.9488
Schistosoma mansoni	na+/k+ atpase alpha subunit	0.004	0.2947	0.2653
Schistosoma mansoni	calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump)	0.0015	0.0537	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0025	0.147	0.147
Toxoplasma gondii	hypothetical protein	0.0018	0.0801	0.1745
Plasmodium falciparum	calcium-transporting ATPase	0.0015	0.0537	0.5
Echinococcus multilocularis	Tetracycline resistance leader peptide, TetL	0.0015	0.0537	0.0142
Brugia malayi	Sodium/potassium-transporting ATPase alpha chain, putative	0.0034	0.241	0.241
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0037	0.2694	1
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0037	0.2694	1
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0037	0.2694	1
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0018	0.0801	0.0417
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0801	1
Trichomonas vaginalis	Clan MH, family M28, aminopeptidase S-like metallopeptidase	0.0018	0.0801	1
Echinococcus multilocularis	nervana 2	0.0077	0.6623	0.6482
Echinococcus granulosus	sodium:potassium transporting ATPase subunit	0.0077	0.6623	0.6482
Schistosoma mansoni	calcium-transporting atpase 2 (atpase 2)	0.0015	0.0537	0.0142
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0018	0.0801	0.0417
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0037	0.2694	1
Plasmodium vivax	calcium-transporting ATPase, putative	0.0015	0.0537	0.5
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0037	0.2694	0.9488
Echinococcus multilocularis	nervana 2	0.0077	0.6623	0.6482
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0018	0.0801	0.0417
Toxoplasma gondii	sarco/endoplasmic reticulum Ca2+-ATPase	0.0015	0.0537	0.0596
Echinococcus granulosus	nervana 2	0.0077	0.6623	0.6482
Brugia malayi	leucyl aminopeptidase	0.0018	0.0801	0.0801
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0037	0.2694	1
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0037	0.2694	1
Trypanosoma brucei	vacuolar-type Ca2+-ATPase, putative	0.0014	0.04	0.1487
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0037	0.2694	0.9488
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0077	0.6623	0.6482
Loa Loa (eye worm)	hypothetical protein	0.004	0.2947	0.2947
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0037	0.2694	0.9488
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0037	0.2694	1
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0077	0.6623	0.6482
Loa Loa (eye worm)	hypothetical protein	0.0077	0.6623	0.6623
Loa Loa (eye worm)	cytochrome P450 family protein	0.0037	0.2694	0.2694
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0037	0.2694	0.9488
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0037	0.2694	1
Echinococcus multilocularis	plasma membrane calcium transporting ATPase	0.0015	0.0537	0.0142
Leishmania major	calcium-transporting ATPase, putative	0.0015	0.0537	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0111	1	1
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0037	0.2694	0.9488
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0037	0.2694	1
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 1	0.0014	0.04	0.1487
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0077	0.6623	0.6482
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0801	0.0801
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0037	0.2694	0.9488
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0037	0.2694	1
Echinococcus multilocularis	calcium transporting ATPase type 2C member	0.0015	0.0537	0.0142
Schistosoma mansoni	NAALADASE L peptidase (M28 family)	0.0018	0.0801	0.0417
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0037	0.2694	0.9488
Brugia malayi	Cytochrome P450 family protein	0.0037	0.2694	0.2694
Onchocerca volvulus		0.0077	0.6623	0.6329
Schistosoma mansoni	plasma membrane calcium-transporting atpase	0.0015	0.0537	0.0142
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0801	1
Schistosoma mansoni	Fxna peptidase (M28 family)	0.0018	0.0801	0.0417
Brugia malayi	Cytochrome P450 family protein	0.0037	0.2694	0.2694
Leishmania major	cytochrome p450-like protein	0.0037	0.2694	1
Mycobacterium ulcerans	hypothetical protein	0.0018	0.0801	0.116
Echinococcus granulosus	calcium transporting ATPase type 2C member	0.0015	0.0537	0.0142
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0037	0.2694	0.9488
Echinococcus multilocularis		0.0037	0.2694	0.2389
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0037	0.2694	1
Trypanosoma brucei	calcium-translocating P-type ATPase	0.0015	0.0537	0.1994
Loa Loa (eye worm)	hypothetical protein	0.0026	0.1664	0.1664
Trypanosoma brucei	calcium motive p-type ATPase, putative	0.0015	0.0537	0.1994
Leishmania major	cytochrome p450-like protein	0.0037	0.2694	1
Loa Loa (eye worm)	Na,K-ATPase alpha subunit	0.004	0.2947	0.2947
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0801	0.0801
Leishmania major	hypothetical protein, conserved	0.0018	0.0801	0.1745
Onchocerca volvulus		0.0038	0.281	0.2184
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0037	0.2694	1
Schistosoma mansoni	hypothetical protein	0.0037	0.2694	0.2389
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0037	0.2694	1
Echinococcus granulosus	plasma membrane calcium transporting ATPase	0.0015	0.0537	0.0142
Schistosoma mansoni	calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump)	0.0015	0.0537	0.0142
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0037	0.2694	0.9488
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0037	0.2694	0.9488
Loa Loa (eye worm)	cytochrome P450	0.0037	0.2694	0.2694
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0037	0.2694	1
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0037	0.2694	0.9488
Trypanosoma cruzi	cytochrome P450, putative	0.0037	0.2694	1
Brugia malayi	cytochrome P450	0.0037	0.2694	0.2694
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0037	0.2694	0.9488
Echinococcus granulosus	cytochrome P450 2K1	0.0037	0.2694	0.2389
Loa Loa (eye worm)	cytochrome P450 family protein	0.0037	0.2694	0.2694
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0077	0.6623	0.6482
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0037	0.2694	1
Schistosoma mansoni	glutaminyl cyclase (M28 family)	0.0111	1	1
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0037	0.2694	1
Schistosoma mansoni	cytochrome P450	0.0037	0.2694	0.2389
Mycobacterium leprae	Conserved hypothetical protein	0.0037	0.2694	1
Schistosoma mansoni	transmemberane protein	0.0077	0.6623	0.6482
Toxoplasma gondii	plasma membrane-type Ca(2+)-ATPase A1 PMCAA1	0.0015	0.0537	0.0596
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0018	0.0801	0.0417
Plasmodium vivax	P-type ATPase4, putative	0.0015	0.0537	0.5
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0077	0.6623	0.6482
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0801	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0014	0.04	0.04

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.5 uM	In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa	ChEMBL.	2836591
IC50 (binding)	= 1.5 uM	In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa	ChEMBL.	2836591
Inhibition (functional)	ND 0 %	Inhibitory activity in histamine-stimulated gastric fistula dog at 3 mg/kg,id.	ChEMBL.	2836591

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

ChEMBL: CHEMBL20201

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.

Detailed information for compound 23753