TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 411.492 | Formula: C27H25NO3
H donors: 1 H acceptors: 2 LogP: 5.58 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OC/C(=C/c1cccc2c1cccc2)/c1ncc(c(c1)OCc1ccccc1OC)C
InChi: 1S/C27H25NO3/c1-19-16-28-25(15-27(19)31-18-22-9-4-6-13-26(22)30-2)23(17-29)14-21-11-7-10-20-8-3-5-12-24(20)21/h3-16,29H,17-18H2,1-2H3/b23-14-
InChiKey: YKUSKKJBOCPGKB-UCQKPKSFSA-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
Sus scrofa	Potassium-transporting ATPase	Starlite/ChEMBL	No 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
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 japonicum	ko:K01540 Na+/K+-exchanging ATPase beta subunit [EC3.6.3.9B], putative	Potassium-transporting ATPase	290 aa	258 aa	23.6 %
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 %
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	254 aa	23.6 %
Loa Loa (eye worm)	hypothetical protein	Potassium-transporting ATPase	290 aa	301 aa	25.9 %
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	267 aa	21.3 %
Schistosoma japonicum	Sodium/potassium-transporting ATPase subunit beta, putative	Potassium-transporting ATPase	290 aa	256 aa	25.4 %
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 %
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	Potassium-transporting ATPase	290 aa	306 aa	26.1 %
Drosophila melanogaster	nervana 1	Potassium-transporting ATPase	290 aa	305 aa	23.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0261	1	1
Echinococcus multilocularis	aldehyde reductase	0.0186	0.701	0.6944
Echinococcus granulosus	aldehyde reductase	0.0186	0.701	0.6944
Trichomonas vaginalis	aldo/keto reductase, putative	0.0261	1	1
Plasmodium falciparum	aldehyde reductase, putative	0.0076	0.2667	1
Loa Loa (eye worm)	RNA binding protein	0.0062	0.2108	0.2108
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.035	0.0247
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.2108	0.1934
Trichomonas vaginalis	aldo/keto reductase, putative	0.0261	1	1
Toxoplasma gondii	calcium-translocating P-type ATPase, PMCA-type protein	0.0017	0.035	0.0247
Echinococcus multilocularis	nervana 2	0.0026	0.069	0.0485
Echinococcus granulosus	geminin	0.0165	0.6181	0.6097
Giardia lamblia	Plasma membrane calcium-transporting ATPase 2	0.0017	0.035	0.0137
Entamoeba histolytica	calcium-transporting P-type ATPase, putative	0.0017	0.035	0.0296
Trichomonas vaginalis	aldo-keto reductase, putative	0.0261	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.2108	0.2108
Trichomonas vaginalis	aldo-keto reductase, putative	0.0261	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0261	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0261	1	1
Trypanosoma cruzi	aldo-keto reductase	0.0261	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0261	1	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0261	1	1
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0076	0.2667	0.2589
Leishmania major	prostaglandin f synthase, putative	0.0261	1	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0261	1	1
Echinococcus multilocularis	aldo keto reductase	0.0261	1	1
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0017	0.035	0.0247
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2108	0.1934
Trypanosoma brucei	calcium-translocating P-type ATPase	0.0014	0.0216	0.0216
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0261	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0261	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2108	0.1934
Entamoeba histolytica	aldose reductase, putative	0.0261	1	1
Mycobacterium leprae	Conserved hypothetical protein	0.0186	0.701	0.6969
Loa Loa (eye worm)	hypothetical protein	0.0026	0.069	0.069
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2108	0.1934
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0076	0.2667	0.2505
Trypanosoma brucei	aldo/keto reductase, putative	0.0076	0.2667	0.2667
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2108	0.1934
Toxoplasma gondii	aldose reductase, putative	0.0261	1	1
Trichomonas vaginalis	cation-transporting ATPase fungi, putative	0.0017	0.035	0.0247
Echinococcus multilocularis	Tetracycline resistance leader peptide, TetL	0.0017	0.035	0.0137
Loa Loa (eye worm)	oxidoreductase	0.0261	1	1
Leishmania major	calcium-transporting ATPase, putative	0.0014	0.0216	0.0112
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0017	0.035	0.0247
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0076	0.2667	0.2667
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0017	0.035	0.035
Mycobacterium tuberculosis	Conserved protein	0.0076	0.2667	0.2567
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0017	0.035	0.0247
Echinococcus granulosus	calcium transporting ATPase type 2C member	0.0017	0.035	0.0137
Toxoplasma gondii	sarco/endoplasmic reticulum Ca2+-ATPase	0.0017	0.035	0.0247
Echinococcus granulosus	aldo keto reductase	0.0261	1	1
Schistosoma mansoni	potassium channel beta	0.0076	0.2667	0.2505
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0261	1	1
Loa Loa (eye worm)	oxidoreductase	0.0261	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.035	0.035
Trichomonas vaginalis	aldo/keto reductase, putative	0.0261	1	1
Echinococcus granulosus	sodium:potassium transporting ATPase subunit	0.0026	0.069	0.0485
Onchocerca volvulus		0.0261	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0076	0.2667	0.2589
Echinococcus multilocularis	aldo keto reductase	0.0261	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0261	1	1
Leishmania major	calcium motive p-type ATPase, putative	0.0014	0.0216	0.0112
Giardia lamblia	Aldose reductase	0.0261	1	1
Brugia malayi	Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type	0.0014	0.0216	0.0216
Trichomonas vaginalis	aldo-keto reductase, putative	0.0261	1	1
Schistosoma mansoni	sodium / potassium ATPase beta chain	0.0026	0.069	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0261	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0261	1	1
Mycobacterium leprae	Possible oxidoreductase	0.0076	0.2667	0.2567
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 2	0.0017	0.035	0.035
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 1	0.0017	0.035	0.035
Echinococcus granulosus	aldo keto reductase	0.0261	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0261	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0261	1	1
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0017	0.035	0.0296
Leishmania major	P-type ATPase, putative	0.0014	0.0216	0.0112
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.2108	0.2108
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.035	0.0247
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0076	0.2667	0.2589
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2108	0.1934
Loa Loa (eye worm)	Na,K-ATPase alpha subunit	0.0017	0.035	0.035
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0076	0.2667	0.2505
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0017	0.035	0.035
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0076	0.2667	0.2667
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0014	0.0216	0.0216
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0261	1	1
Echinococcus multilocularis	aldo keto reductase	0.0261	1	1
Schistosoma mansoni	ATPase	0.0017	0.035	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0017	0.035	0.035
Echinococcus multilocularis	nervana 2	0.0026	0.069	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0026	0.069	0.069
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0076	0.2667	0.2589
Brugia malayi	NADH-dependent xylose reductase	0.0076	0.2667	0.2667
Trypanosoma cruzi	aldo/keto reductase, putative	0.0076	0.2667	0.2667
Trypanosoma brucei	vacuolar-type Ca2+-ATPase, putative	0.0017	0.035	0.035
Brugia malayi	RNA binding protein	0.0062	0.2108	0.2108
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0261	1	1
Brugia malayi	haloacid dehalogenase-like hydrolase family protein	0.001	0.0056	0.0056
Loa Loa (eye worm)	oxidoreductase	0.0261	1	1
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0076	0.2667	0.2626
Trichomonas vaginalis	aldo-keto reductase, putative	0.0261	1	1
Echinococcus granulosus	aldo keto reductase	0.0261	1	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0261	1	1
Loa Loa (eye worm)	oxidoreductase	0.0261	1	1
Onchocerca volvulus		0.0026	0.069	0.0352
Mycobacterium ulcerans	hypothetical protein	0.0076	0.2667	0.2567
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0261	1	1
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0026	0.069	0.0485
Trichomonas vaginalis	aldo-keto reductase, putative	0.0261	1	1
Plasmodium vivax	aldehyde reductase, putative	0.0076	0.2667	1
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0026	0.069	0.0485
Toxoplasma gondii	plasma membrane-type Ca(2+)-ATPase A1 PMCAA1	0.0014	0.0216	0.0112
Onchocerca volvulus		0.0261	1	1
Echinococcus multilocularis	nervana 2	0.0026	0.069	0.0485
Echinococcus granulosus	nervana 2	0.0026	0.069	0.0485
Toxoplasma gondii	aldo-keto reductase	0.0076	0.2667	0.2589
Echinococcus multilocularis	aldo keto reductase	0.0261	1	1
Echinococcus granulosus	tar DNA binding protein	0.0062	0.2108	0.1934
Echinococcus multilocularis	sodium:potassium transporting ATPase subunit	0.0026	0.069	0.0485
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0026	0.069	0.0485
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.035	0.0247
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0261	1	1
Brugia malayi	TAR-binding protein	0.0062	0.2108	0.2108
Schistosoma mansoni	ATPase	0.0017	0.035	0.0137
Onchocerca volvulus		0.0261	1	1
Schistosoma mansoni	pol-related	0.0261	1	1
Mycobacterium ulcerans	metal cation transporter p-type ATPase a	0.0017	0.035	0.0219
Loa Loa (eye worm)	calcium ATPase	0.001	0.0056	0.0056
Trypanosoma brucei	P-type H+-ATPase, putative	0.0011	0.0106	0.0106
Giardia lamblia	Aldose reductase	0.0261	1	1
Onchocerca volvulus		0.0261	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0261	1	1
Echinococcus granulosus	sarco:endoplasmic reticulum calcium ATPase	0.0017	0.035	0.0137
Trichomonas vaginalis	aldo-keto reductase, putative	0.0261	1	1
Mycobacterium ulcerans	metal cation-transporting p-type ATPase F, CtpF	0.0017	0.035	0.0219
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0261	1	1
Schistosoma mansoni	hypothetical protein	0.0165	0.6181	0.6097
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0261	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0261	1	1
Onchocerca volvulus		0.0026	0.069	0.0352
Trichomonas vaginalis	aldo-keto reductase, putative	0.0076	0.2667	0.2589
Schistosoma mansoni	aldo-keto reductase	0.0261	1	1
Loa Loa (eye worm)	E1-E2 ATPase	0.0011	0.0106	0.0106
Loa Loa (eye worm)	oxidoreductase	0.0261	1	1
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0026	0.069	0.0485
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0014	0.0216	0.0112
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0261	1	1
Echinococcus granulosus	voltage gated potassium channel subunit	0.0076	0.2667	0.2505
Brugia malayi	Na,K-ATPase alpha subunit	0.0017	0.035	0.035
Echinococcus granulosus	nervana 2	0.0026	0.069	0.0485
Trypanosoma cruzi	Calcium ATPase SERCA-like	0.0017	0.035	0.035
Schistosoma mansoni	aldo-keto reductase	0.0261	1	1
Brugia malayi	Membrane calcium atpase protein 3	0.0014	0.0216	0.0216
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0076	0.2667	0.2589
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0017	0.035	0.0247
Echinococcus granulosus	hypothetical protein	0.0261	1	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0076	0.2667	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0261	1	1
Trypanosoma brucei	aldo-keto reductase, putative	0.0261	1	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0261	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0261	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0261	1	1
Echinococcus granulosus	nervana 2	0.0026	0.069	0.0485
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0261	1	1
Schistosoma mansoni	transmemberane protein	0.0026	0.069	0.0485
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0261	1	1
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0026	0.069	0.0485
Plasmodium falciparum	non-SERCA-type Ca2+ -transporting P-ATPase	0.0017	0.035	0.0548
Mycobacterium ulcerans	oxidoreductase	0.0261	1	1
Trypanosoma brucei	P-type H+-ATPase, putative	0.0011	0.0106	0.0106
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0017	0.035	0.0247
Onchocerca volvulus		0.0261	1	1
Brugia malayi	E1-E2 ATPase family protein	0.0011	0.0106	0.0106
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0026	0.069	0.0485
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0076	0.2667	0.2626
Trypanosoma brucei	prostaglandin f synthase	0.0261	1	1
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0017	0.035	0.0296
Echinococcus multilocularis	sarco:endoplasmic reticulum calcium ATPase	0.0017	0.035	0.0137
Leishmania major	calcium-translocating P-type ATPase	0.0017	0.035	0.0247
Entamoeba histolytica	aldose reductase, putative	0.0261	1	1
Loa Loa (eye worm)	sodium/potassium-transporting ATPase subunit alpha	0.0012	0.0134	0.0134
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0076	0.2667	1
Schistosoma mansoni	Na+/K+ transporting ATPase subunit alpha	0.0017	0.035	0.0137
Trypanosoma cruzi	P-type H+-ATPase, putative	0.0011	0.0106	0.0106
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0261	1	1
Echinococcus granulosus	nervana 2	0.0026	0.069	0.0485
Echinococcus granulosus	plasma membrane calcium transporting ATPase 2	0.0017	0.035	0.0137
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.2108	0.2108
Leishmania major	aldo-keto reductase-like protein	0.0261	1	1
Trypanosoma cruzi	P-type H+-ATPase, putative	0.0011	0.0106	0.0106
Toxoplasma gondii	P-type ATPase4, putative	0.0017	0.035	0.0247
Trypanosoma brucei	calcium motive p-type ATPase, putative	0.0014	0.0216	0.0216
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.035	0.0247
Echinococcus multilocularis	calcium transporting ATPase type 2C member	0.0017	0.035	0.0137
Brugia malayi	Sodium/potassium-transporting ATPase alpha chain, putative	0.0012	0.0134	0.0134
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0261	1	1
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0026	0.069	0.0485
Onchocerca volvulus		0.0076	0.2667	0.2401
Trichomonas vaginalis	aldo-keto reductase, putative	0.0261	1	1
Schistosoma mansoni	hypothetical protein	0.0165	0.6181	0.6097
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0026	0.069	0.0485
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0261	1	1
Echinococcus multilocularis	nervana 2	0.0026	0.069	0.0485
Trichomonas vaginalis	conserved hypothetical protein	0.0076	0.2667	0.2589
Trichomonas vaginalis	aldo-keto reductase, putative	0.0261	1	1
Echinococcus multilocularis	geminin	0.0165	0.6181	0.6097
Entamoeba histolytica	aldose reductase, putative	0.0261	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0261	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0076	0.2667	0.2589
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0017	0.035	0.0296
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0014	0.0216	0.0216
Onchocerca volvulus		0.0261	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0261	1	1
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0026	0.069	0.0485
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.035	0.0247
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0261	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.7 uM	The compound was tested for its inhibitory activity against H+/K+ ATPase by using hog stomach membrane fractions (pH 6.4)	ChEMBL.	No reference
IC50 (binding)	= 1.7 uM	The compound was tested for its inhibitory activity against H+/K+ ATPase by using hog stomach membrane fractions (pH 6.4)	ChEMBL.	No reference
Inhibition (functional)	= 20 %	Compound at an intradermal dose of 10 mg/kg was tested in vivo for the inhibition of tetragastrin-induced acid secretion in pylorus-ligated rats	ChEMBL.	No reference
Inhibition (functional)	= 49 %	Compound at an intravenous dose of 3 mg/kg was tested in vivo for the inhibition of tetragastrin-induced acid secretion in acute fistula rats	ChEMBL.	No reference

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: CHEMBL151034

Bibliographic References

No literature references available for this target.

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Detailed information for compound 259159