TDR Targets

Basic information

Technical information

TDR Targets ID: 269436
Name: N,N-dimethyl-2-[[1-[5-(trifluoromethyl)pyridi n-2-yl]imidazol-2-yl]sulfinylmethyl]aniline
MW: 394.414 | Formula: C18H17F3N4OS
H donors: 0 H acceptors: 3 LogP: 3.73 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: [O-][S+](c1nccn1c1ccc(cn1)C(F)(F)F)Cc1ccccc1N(C)C
InChi: 1S/C18H17F3N4OS/c1-24(2)15-6-4-3-5-13(15)12-27(26)17-22-9-10-25(17)16-8-7-14(11-23-16)18(19,20)21/h3-11H,12H2,1-2H3
InChiKey: GNYTVLMHRKNRII-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

N,N-dimethyl-2-[[1-[5-(trifluoromethyl)-2-pyridyl]imidazol-2-yl]sulfinylmethyl]aniline
N,N-dimethyl-2-[[1-[5-(trifluoromethyl)-2-pyridyl]-2-imidazolyl]sulfinylmethyl]aniline
dimethyl-[2-[[1-[5-(trifluoromethyl)-2-pyridyl]imidazol-2-yl]sulfinylmethyl]phenyl]amine

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 granulosus	nervana 2	Potassium-transporting ATPase	290 aa	280 aa	29.3 %
Schistosoma japonicum	Sodium/potassium-transporting ATPase subunit beta-1, putative	Potassium-transporting ATPase	290 aa	258 aa	24.4 %
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	Potassium-transporting ATPase	290 aa	267 aa	27.3 %
Echinococcus multilocularis	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	267 aa	21.3 %
Loa Loa (eye worm)	hypothetical protein	Potassium-transporting ATPase	290 aa	301 aa	25.9 %
Echinococcus multilocularis	nervana 2	Potassium-transporting ATPase	290 aa	265 aa	22.3 %
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	Potassium-transporting ATPase	290 aa	266 aa	24.1 %
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 %
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	306 aa	26.1 %
Onchocerca volvulus	Glutamate carboxypeptidase 2 homolog	Potassium-transporting ATPase	290 aa	301 aa	25.9 %
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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	plasma membrane calcium-transporting atpase	0.0014	0.0154	0.0653
Entamoeba histolytica	plasma membrane calcium-transporting ATPase 1, putative	0.001	0.007	0.107
Onchocerca volvulus		0.0026	0.0401	1
Echinococcus granulosus	sodium:potassium transporting ATPase subunit	0.0026	0.0401	0.1754
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0208	0.0894
Echinococcus multilocularis	nervana 2	0.0026	0.0401	0.1754
Trichomonas vaginalis	glucose transporter, putative	0.0036	0.0612	0.269
Trypanosoma cruzi	hexose transporter, putative	0.0036	0.0612	0.8663
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0036	0.0612	0.8651
Trichomonas vaginalis	cation-transporting ATPase fungi, putative	0.0017	0.0224	0.0965
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0017	0.0224	0.0965
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0007	0.0006	0.009
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0016	0.0208	0.2874
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.004	0.0707	1
Schistosoma mansoni	sugar transporter	0.0016	0.0208	0.0894
Leishmania major	P-type H -ATPase, putative	0.0011	0.0096	0.1278
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0603	0.2669
Brugia malayi	calcium ATPase	0.0007	0.0026	0.0114
Loa Loa (eye worm)	threonyl-tRNA synthetase	0.0007	0.0006	0.0028
Schistosoma mansoni	serine/threonine protein kinase	0.0035	0.0603	0.2648
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0017	0.0224	0.3644
Echinococcus multilocularis	sodium:potassium transporting ATPase subunit	0.0026	0.0401	0.1754
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.092
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0035	0.0603	0.0903
Trichomonas vaginalis	sugar transporter, putative	0.0036	0.0612	0.269
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0036	0.0612	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Brugia malayi	Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type	0.0014	0.0154	0.068
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0187	0.3728	0.3724
Mycobacterium tuberculosis	Possible metal cation transporting P-type ATPase CtpH	0.0012	0.0111	0.3288
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0026	0.0405	1
Echinococcus granulosus	solute carrier family 22	0.0016	0.0208	0.0894
Trypanosoma brucei	P-type H+-ATPase, putative	0.0011	0.0096	0.1278
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0116	0.2258	1
Brugia malayi	Sugar transporter family protein	0.0016	0.0208	0.092
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0035	0.0603	0.2648
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0016	0.0208	0.6328
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0208	0.0894
Plasmodium falciparum	calcium-transporting ATPase	0.0014	0.0154	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.092
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0026	0.0405	0.6849
Trypanosoma brucei	vacuolar-type Ca2+-ATPase, putative	0.0017	0.0224	0.3104
Trichomonas vaginalis	sugar transporter, putative	0.0036	0.0612	0.269
Echinococcus granulosus	Na:K ATPase alpha subunit	0.0014	0.0154	0.0653
Toxoplasma gondii	protein kinase, putative	0.0327	0.6614	1
Schistosoma mansoni	calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump)	0.0014	0.0154	0.0653
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0035	0.0603	0.0597
Chlamydia trachomatis	proline--tRNA ligase	0.0012	0.0125	0.2978
Trichomonas vaginalis	glucose transporter, putative	0.0016	0.0208	0.0894
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0035	0.0603	0.0597
Echinococcus granulosus	calcium transporting atpase	0.0014	0.0154	0.0653
Toxoplasma gondii	E1-E2 ATPase subfamily protein	0.0007	0.0026	0.0029
Toxoplasma gondii	sugar transporter ST2	0.0016	0.0208	0.0305
Echinococcus granulosus	sarco:endoplasmic reticulum calcium ATPase	0.0017	0.0224	0.0965
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Echinococcus granulosus	lysyl tRNA synthetase	0.0026	0.0405	0.1769
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0026	0.0401	0.1754
Giardia lamblia	Lysyl-tRNA synthetase	0.0026	0.0405	0.6849
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Brugia malayi	probable proline-trna synthetase - fission yeast, putative	0.0007	0.0006	0.0028
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Entamoeba histolytica	plasma membrane calcium ion-transporting ATPase, putative	0.001	0.007	0.107
Plasmodium vivax	lysine--tRNA ligase, putative	0.0026	0.0405	0.0399
Brugia malayi	Probable calcium-transporting ATPase KIAA0703	0.0008	0.0041	0.018
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0116	0.2258	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0041	0.018
Trypanosoma cruzi	hexose transporter, putative	0.0016	0.0208	0.2939
Schistosoma mansoni	ATPase	0.0017	0.0224	0.0965
Giardia lamblia	Sugar-proton symporter	0.0016	0.0208	0.346
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0035	0.0588	0.2583
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.004	0.0707	1
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0187	0.3728	0.5632
Brugia malayi	Cam kinase protein 1	0.0035	0.0603	0.2669
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0116	0.2258	1
Plasmodium falciparum	non-SERCA-type Ca2+ -transporting P-ATPase	0.0017	0.0224	0.0217
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0017	0.0224	0.0965
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0026	0.0405	0.1769
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0014	0.0154	0.2173
Echinococcus granulosus	General substrate transporter	0.0099	0.1923	0.851
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0612	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0224	0.0991
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0208	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0612	0.8651
Trypanosoma cruzi	P-type H+-ATPase, putative	0.0007	0.0026	0.0363
Brugia malayi	lysyl-tRNA synthetase	0.0026	0.0405	0.1792
Leishmania major	glucose transporter, lmgt3	0.0036	0.0612	0.8651
Brugia malayi	Na,K-ATPase alpha subunit	0.0017	0.0224	0.0991
Toxoplasma gondii	calcium-translocating P-type ATPase, PMCA-type protein	0.0017	0.0224	0.0329
Schistosoma mansoni	glucose transporter	0.0016	0.0208	0.0894
Leishmania major	calcium-transporting ATPase, putative	0.0014	0.0154	0.2101
Toxoplasma gondii	sarco/endoplasmic reticulum Ca2+-ATPase	0.0017	0.0224	0.0329
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0026	0.0401	0.1754
Brugia malayi	hypothetical protein	0.0016	0.0208	0.092
Schistosoma mansoni	calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump)	0.0014	0.0154	0.0653
Echinococcus granulosus	nervana 2	0.0026	0.0401	0.1754
Brugia malayi	Sodium/potassium-transporting ATPase alpha chain, putative	0.0012	0.0111	0.0491
Loa Loa (eye worm)	calcium ATPase	0.001	0.007	0.0311
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0208	0.0894
Entamoeba histolytica	protein kinase, putative	0.0035	0.0603	1
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0026	0.0401	0.1754
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0026	0.0401	0.1754
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0035	0.0588	0.2583
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0017	0.0224	0.3104
Echinococcus multilocularis	calcium transporting ATPase type 2C member	0.0017	0.0224	0.0965
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0035	0.0603	0.8517
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0454	0.2009
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0035	0.0603	0.0597
Giardia lamblia	Prolyl-tRNA synthetase	0.0035	0.0588	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0224	0.0991
Leishmania major	hypothetical protein, conserved	0.0016	0.0208	0.2874
Echinococcus multilocularis	Tetracycline resistance leader peptide, TetL	0.0017	0.0224	0.0965
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0035	0.0603	0.0597
Onchocerca volvulus		0.0017	0.0224	0.083
Leishmania major	myo-inositol/proton symporter (MIT)	0.0016	0.0208	0.2874
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.092
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.004	0.0707	1
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0208	0.0894
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0016	0.0208	0.6328
Trypanosoma cruzi	P-type H+-ATPase, putative	0.0011	0.0096	0.1357
Plasmodium vivax	calcium-transporting ATPase, putative	0.0017	0.0224	0.0217
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0035	0.0603	0.0597
Plasmodium vivax	proline--tRNA ligase, putative	0.004	0.0707	0.0701
Echinococcus granulosus	nervana 2	0.0026	0.0401	0.1754
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Trypanosoma brucei	P-type H+-ATPase, putative	0.0011	0.0096	0.1278
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Loa Loa (eye worm)	E1-E2 ATPase	0.0011	0.0096	0.0425
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0014	0.0154	0.0653
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0022	0.0324	1
Trypanosoma cruzi	hexose transporter, putative	0.002	0.0277	0.3915
Schistosoma mansoni	Na+/K+ transporting ATPase subunit alpha	0.0017	0.0224	0.0965
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0011	0.0096	0.0397
Trichomonas vaginalis	myo-inositol transporter, putative	0.0016	0.0208	0.0894
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0187	0.3728	0.3724
Chlamydia trachomatis	lysine--tRNA ligase	0.0026	0.0405	1
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.0224	0.0965
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0035	0.0603	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0035	0.0603	0.2669
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0016	0.0208	0.0201
Mycobacterium leprae	PROBABLE CATION-TRANSPORTER ATPASE I CTPI	0.0012	0.0111	0.1798
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0035	0.0588	0.2583
Leishmania major	glucose transporter, lmgt2	0.0036	0.0612	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.092
Brugia malayi	glycyl-tRNA synthetase	0.0007	0.0006	0.0028
Leishmania major	P-type ATPase, putative	0.0014	0.0154	0.2101
Entamoeba histolytica	calcium-transporting P-type ATPase, putative	0.0017	0.0224	0.3644
Schistosoma mansoni	glucose transport protein	0.0116	0.2258	1
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0208	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.092
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0016	0.0208	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.092
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.092
Schistosoma mansoni	hypothetical protein	0.0116	0.2258	1
Plasmodium falciparum	proline--tRNA ligase	0.004	0.0707	0.0701
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Trichomonas vaginalis	sugar transport protein, putative	0.0016	0.0208	0.0894
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0017	0.0224	0.3644
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0491	1	1
Echinococcus granulosus	plasma membrane calcium transporting ATPase 2	0.0017	0.0224	0.0965
Brugia malayi	Sodium/potassium-transporting ATPase alpha-3 chain, putative	0.0007	0.0026	0.0114
Echinococcus multilocularis	General substrate transporter	0.0099	0.1923	0.851
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0612	0.8651
Trypanosoma cruzi	calcium-transporting ATPase, putative	0.0008	0.0041	0.0577
Echinococcus granulosus	plasma membrane calcium transporting ATPase	0.0014	0.0154	0.0653
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0116	0.2258	1
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0016	0.0208	1
Leishmania major	P-type H -ATPase, putative	0.0011	0.0096	0.1278
Echinococcus granulosus	synaptic vesicle 2 protein	0.0016	0.0208	0.0894
Brugia malayi	Major Facilitator Superfamily protein	0.0016	0.0208	0.092
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.092
Plasmodium vivax	sugar transporter, putative	0.0016	0.0208	0.0201
Entamoeba histolytica	plasma membrane calcium ion-transporting ATPase, putative	0.0007	0.0026	0.0323
Schistosoma mansoni	sodium / potassium ATPase beta chain	0.0026	0.0401	0.1754
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0035	0.0603	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Echinococcus multilocularis	nervana 2	0.0026	0.0401	0.1754
Entamoeba histolytica	protein kinase, putative	0.0035	0.0603	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0588	0.2604
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0035	0.0603	0.2669
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.004	0.0707	0.106
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0035	0.0603	0.2669
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0035	0.0588	0.2583
Leishmania major	protein kinase, putative	0.0035	0.0603	0.8517
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0007	0.0006	0.009
Schistosoma mansoni	protein kinase	0.0035	0.0603	0.2648
Trypanosoma cruzi	calcium-translocating P-type ATPase, putative	0.0007	0.0026	0.0363
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0035	0.0588	0.2604
Schistosoma mansoni	calcium-transporting atpase 2 (atpase 2)	0.0014	0.0154	0.0653
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0035	0.0588	0.2604
Echinococcus multilocularis	calcium transporting atpase	0.0014	0.0154	0.0653
Brugia malayi	haloacid dehalogenase-like hydrolase family protein	0.001	0.007	0.0311
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0116	0.2258	1
Toxoplasma gondii	lysine-tRNA ligase	0.0026	0.0405	0.0603
Toxoplasma gondii	P-type ATPase PMA1	0.0011	0.0096	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.092
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0017	0.0224	0.3644
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0016	0.0208	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Schistosoma mansoni	na+/k+ atpase alpha subunit	0.0014	0.0154	0.0653
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.004	0.0707	1
Giardia lamblia	Hexose transporter	0.0016	0.0208	0.346
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0006	0.0028
Brugia malayi	Membrane calcium atpase protein 3	0.0014	0.0154	0.068
Giardia lamblia	Plasma membrane calcium-transporting ATPase 2	0.0017	0.0224	0.3737
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0026	0.0114
Loa Loa (eye worm)	sugar transporter	0.0016	0.0208	0.092
Echinococcus multilocularis	calcium dependent protein kinase	0.0033	0.0558	0.2448
Echinococcus granulosus	nervana 2	0.0026	0.0401	0.1754
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0014	0.0154	0.2173
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0022	0.0324	0.5469
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0036	0.0612	0.8651
Leishmania major	lysyl-tRNA synthetase, putative	0.0026	0.0405	0.5689
Leishmania major	calcium motive p-type ATPase, putative	0.0014	0.0154	0.2101
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0116	0.2258	1
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0016	0.0208	0.0894
Plasmodium falciparum	hexose transporter	0.0116	0.2258	0.2253
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Echinococcus granulosus	solute carrier family 22	0.0016	0.0208	0.0894
Brugia malayi	hypothetical protein	0.0016	0.0208	0.092
Toxoplasma gondii	facilitative glucose transporter GT1	0.0116	0.2258	0.3408
Trypanosoma cruzi	hexose transporter, putative	0.0036	0.0612	0.8663
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0012	0.0125	0.2978
Loa Loa (eye worm)	sodium/potassium-transporting ATPase subunit alpha	0.0012	0.0111	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0588	0.2604
Schistosoma mansoni	sugar transporter	0.0016	0.0208	0.0894
Mycobacterium ulcerans	integral membrane transport protein	0.0016	0.0208	0.5052
Mycobacterium ulcerans	metal cation transporter p-type ATPase a	0.0017	0.0224	0.5456
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0339	0.1477
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0208	0.0894
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0016	0.0208	0.092
Schistosoma mansoni	lysyl-tRNA synthetase	0.0026	0.0405	0.1769
Echinococcus granulosus	solute carrier family 22	0.0016	0.0208	0.0894
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0035	0.0588	0.9752
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0026	0.0401	0.1754
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Echinococcus multilocularis	plasma membrane calcium transporting ATPase	0.0014	0.0154	0.0653
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0035	0.0588	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0035	0.0603	0.0903
Schistosoma mansoni	glucose transport protein	0.0116	0.2258	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0016	0.0208	0.092
Trypanosoma cruzi	plasma-membrane proton-efflux P-type ATPase, putative	0.0007	0.0026	0.0363
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0022	0.0324	1
Trypanosoma brucei	glucose transporter 2A	0.0036	0.0612	0.8651
Loa Loa (eye worm)	sodium potassium adenosine triphosphatase	0.0007	0.0026	0.0114
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0035	0.0603	0.2648
Echinococcus granulosus	nervana 2	0.0026	0.0401	0.1754
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 1	0.0017	0.0224	0.3104
Trypanosoma cruzi	sugar transporter, putative	0.0016	0.0208	0.2939
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0035	0.0588	0.2583
Schistosoma mansoni	glucose transport protein	0.0116	0.2258	1
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0026	0.0405	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0401	0.1777
Trypanosoma cruzi	P-type H+-ATPase, putative	0.0011	0.0096	0.1357
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.004	0.0707	1
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0208	0.0894
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0208	0.0894
Schistosoma mansoni	sugar transporter	0.0016	0.0208	0.0894
Echinococcus multilocularis	Ca2+ transporting ATPase plasma membrane	0.0014	0.0154	0.0653
Loa Loa (eye worm)	Na,K-ATPase alpha subunit	0.0017	0.0224	0.0991
Treponema pallidum	prolyl-tRNA synthetase	0.0012	0.0125	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0035	0.0603	0.2648
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0116	0.2258	1
Echinococcus granulosus	calcium dependent protein kinase	0.0033	0.0558	0.2448
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Plasmodium falciparum	protein kinase 7	0.0327	0.6614	0.6612
Loa Loa (eye worm)	sugar transporter	0.0116	0.2258	1
Leishmania major	glucose transporter, lmgt1	0.0036	0.0612	0.8651
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0036	0.0612	0.8651
Toxoplasma gondii	plasma membrane-type Ca(2+)-ATPase A1 PMCAA1	0.0014	0.0154	0.0223
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0612	0.8651
Leishmania major	calcium-translocating P-type ATPase	0.0017	0.0224	0.3104
Giardia lamblia	Potassium-transporting ATPase alpha chain 1	0.0014	0.0154	0.253
Trypanosoma cruzi	Calcium ATPase SERCA-like	0.0017	0.0224	0.3166
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0035	0.0603	0.0903
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0612	0.269
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0116	0.2258	1
Brugia malayi	Sugar transporter family protein	0.0116	0.2258	1
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Plasmodium vivax	P-type ATPase4, putative	0.0017	0.0224	0.0217
Trichomonas vaginalis	sugar transporter, putative	0.0036	0.0612	0.269
Brugia malayi	major facilitator superfamily protein	0.0016	0.0208	0.092
Trypanosoma cruzi	glucose transporter, putative	0.0016	0.0208	0.2939
Schistosoma mansoni	plasma membrane calcium-transporting atpase	0.0014	0.0154	0.0653
Mycobacterium ulcerans	cation-transporter ATPase I CtpI	0.0012	0.0111	0.2625
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0035	0.0603	0.2648
Schistosoma mansoni	sugar transporter	0.0016	0.0208	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Brugia malayi	threonyl-tRNA synthetase, cytoplasmic	0.0007	0.0006	0.0028
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0017	0.0224	0.3166
Mycobacterium ulcerans	sugar transporter	0.0016	0.0208	0.5052
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0612	0.269
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0017	0.0224	0.0965
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.092
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0035	0.0603	0.2648
Echinococcus granulosus	Ca2 transporting ATPase plasma membrane	0.0014	0.0154	0.0653
Echinococcus multilocularis	Na+:K+ ATPase alpha subunit	0.0014	0.0154	0.0653
Echinococcus multilocularis	lysyl tRNA synthetase	0.0026	0.0405	0.1769
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.092
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.0224	0.0965
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0035	0.0603	0.2648
Plasmodium vivax	hexose transporter	0.0116	0.2258	0.2253
Schistosoma mansoni	protein kinase	0.0035	0.0603	0.2648
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 2	0.0017	0.0224	0.3104
Brugia malayi	Major Facilitator Superfamily protein	0.0016	0.0208	0.092
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0405	0.1792
Onchocerca volvulus		0.0026	0.0401	1
Schistosoma mansoni	ATPase	0.0017	0.0224	0.0965
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0035	0.0603	0.0597
Brugia malayi	Major Facilitator Superfamily protein	0.0016	0.0208	0.092
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0035	0.0603	0.2648
Loa Loa (eye worm)	glycyl-tRNA synthetase	0.0007	0.0006	0.0028
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.0224	0.0965
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0035	0.0603	0.2648
Echinococcus multilocularis	nervana 2	0.0026	0.0401	0.1754
Entamoeba histolytica	hypothetical protein	0.0026	0.0405	0.6679
Trypanosoma brucei	sugar transporter, putative	0.0016	0.0208	0.2874
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0035	0.0603	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0026	0.0405	0.5689
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Loa Loa (eye worm)	calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type	0.0008	0.0041	0.018
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0026	0.0405	0.5728
Plasmodium falciparum	lysine--tRNA ligase	0.0026	0.0405	0.0399
Trypanosoma brucei	calcium motive p-type ATPase, putative	0.0014	0.0154	0.2101
Trypanosoma brucei	glucose transporter 1E	0.0036	0.0612	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.092
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0016	0.0208	0.5052
Brugia malayi	major facilitator superfamily protein	0.0016	0.0208	0.092
Echinococcus multilocularis	nervana 2	0.0026	0.0401	0.1754
Toxoplasma gondii	transporter, major facilitator family protein	0.0016	0.0208	0.0305
Echinococcus multilocularis	sarco:endoplasmic reticulum calcium ATPase	0.0017	0.0224	0.0965
Toxoplasma gondii	sugar transporter ST3	0.0016	0.0208	0.0305
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Echinococcus granulosus	solute carrier family 22	0.0016	0.0208	0.0894
Mycobacterium ulcerans	metal cation-transporting p-type ATPase F, CtpF	0.0017	0.0224	0.5456
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.092
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0612	0.8651
Toxoplasma gondii	P-type ATPase4, putative	0.0017	0.0224	0.0329
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0612	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0026	0.0401	0.1754
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0612	0.8651
Trypanosoma cruzi	hexose transporter	0.0036	0.0612	0.8663
Brugia malayi	E1-E2 ATPase family protein	0.0011	0.0096	0.0425
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0116	0.2258	1
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.0224	0.0965
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.0224	0.0965
Giardia lamblia	Plasma membrane calcium-transporting ATPase 2	0.0014	0.0154	0.253
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.092
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0401	0.1777
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0026	0.0401	0.1754
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Schistosoma mansoni	protein kinase	0.0035	0.0603	0.2648
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0016	0.0208	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0612	0.8651
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0017	0.0224	0.3166
Trichomonas vaginalis	CAMK family protein kinase	0.0035	0.0603	0.2648
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0026	0.0401	0.1754
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0016	0.0208	0.5052
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.092
Trypanosoma brucei	calcium-translocating P-type ATPase	0.0014	0.0154	0.2101
Brugia malayi	Sugar transporter family protein	0.0016	0.0208	0.092
Trichomonas vaginalis	glucose transporter, putative	0.0036	0.0612	0.269
Schistosoma mansoni	lysyl-tRNA synthetase	0.0026	0.0405	0.1769
Echinococcus granulosus	calcium transporting ATPase type 2C member	0.0017	0.0224	0.0965
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0017	0.0224	0.3104
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Brugia malayi	hypothetical protein	0.0016	0.0208	0.092
Trypanosoma cruzi	hexose transporter, putative	0.0036	0.0612	0.8663
Toxoplasma gondii	sugar transporter ST1	0.0016	0.0208	0.0305
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0026	0.0401	0.1754
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0014	0.0166	0.0735
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0208	0.0894
Trypanosoma brucei	calcium-transporting ATPase, putative	0.0008	0.0041	0.0491
Schistosoma mansoni	transmemberane protein	0.0026	0.0401	0.1754

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 7.4 uM	In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles	ChEMBL.	8558532
IC50 (binding)	= 7.4 uM	In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles	ChEMBL.	8558532
Inhibition (functional)	= 36 %	Gastric antisecretory activity was tested in rats at 30 mg/kg, po expressed as the percentage of inhibition against the acid output of the control group	ChEMBL.	8558532
Inhibition (functional)	= 36 %	Gastric antisecretory activity was tested in rats at 30 mg/kg, po expressed as the percentage of inhibition against the acid output of the control group	ChEMBL.	8558532

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: 10500822

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 269436