TDR Targets

Basic information

Technical information

TDR Targets ID: 188602
Name: 8-methoxy-3-methyl-N-(2-methylphenyl)quinolin -4-amine
MW: 278.348 | Formula: C18H18N2O
H donors: 1 H acceptors: 1 LogP: 4.43 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc2c1ncc(c2Nc1ccccc1C)C
InChi: 1S/C18H18N2O/c1-12-7-4-5-9-15(12)20-17-13(2)11-19-18-14(17)8-6-10-16(18)21-3/h4-11H,1-3H3,(H,19,20)
InChiKey: PJRTYDLWEMAPQB-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

8-methoxy-3-methyl-N-(o-tolyl)quinolin-4-amine
8-methoxy-3-methyl-N-(o-tolyl)-4-quinolinamine
(8-methoxy-3-methyl-4-quinolyl)-(o-tolyl)amine
8-methoxy-3-methyl-N-(2-methylphenyl)-4-quinolinamine
(8-methoxy-3-methyl-4-quinolyl)-(2-methylphenyl)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
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	266 aa	24.1 %
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	Potassium-transporting ATPase	290 aa	306 aa	26.1 %
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	Potassium-transporting ATPase	290 aa	267 aa	27.3 %
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 granulosus	sodium:potassium dependent atpase beta subunit	Potassium-transporting ATPase	290 aa	266 aa	25.6 %
Echinococcus granulosus	nervana 2	Potassium-transporting ATPase	290 aa	280 aa	29.3 %
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	Potassium-transporting ATPase	290 aa	254 aa	23.6 %
Echinococcus multilocularis	nervana 2	Potassium-transporting ATPase	290 aa	280 aa	29.6 %
Drosophila melanogaster	nervana 1	Potassium-transporting ATPase	290 aa	305 aa	23.9 %
Echinococcus multilocularis	nervana 2	Potassium-transporting ATPase	290 aa	265 aa	22.3 %
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	Potassium-transporting ATPase	290 aa	267 aa	21.3 %
Loa Loa (eye worm)	hypothetical protein	Potassium-transporting ATPase	290 aa	301 aa	25.9 %
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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0143	0.0143
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0053	0.0143	0.0143
Mycobacterium ulcerans	hypothetical protein	0.1843	0.5891	1
Plasmodium falciparum	non-SERCA-type Ca2+ -transporting P-ATPase	0.0017	0.0028	0.087
Trichomonas vaginalis	cation-transporting ATPase fungi, putative	0.0017	0.0028	0.1479
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0017	0.0028	0.002
Echinococcus multilocularis	calcium transporting ATPase type 2C member	0.0017	0.0028	0.0011
Onchocerca volvulus		0.0053	0.0143	0.0115
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0053	0.0143	0.0143
Mycobacterium leprae	probable isochorismate synthase EntC	0.0053	0.0143	1
Plasmodium vivax	phosphoglycerate mutase, putative	0.0053	0.0143	1
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0053	0.0143	0.0143
Leishmania major	hypothetical protein, conserved	0.0053	0.0143	0.0135
Plasmodium falciparum	phosphoglycerate mutase, putative	0.0053	0.0143	1
Mycobacterium ulcerans	phosphoglycerate mutase	0.0053	0.0143	0.0225
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.1333	0.4252	0.4247
Leishmania major	calcium motive p-type ATPase, putative	0.0014	0.0018	0.0009
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0053	0.0143	0.0143
Mycobacterium leprae	Possible phosphoglycerate mutase	0.0053	0.0143	1
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0143	1
Brugia malayi	UBASH3A protein homolog	0.0053	0.0143	1
Echinococcus granulosus	phosphoglycerate mutase	0.0053	0.0143	0.0126
Loa Loa (eye worm)	hypothetical protein	0.1791	0.5722	0.5722
Schistosoma mansoni	ATPase	0.0017	0.0028	0.0011
Schistosoma mansoni	hypothetical protein	0.0053	0.0143	0.0126
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0053	0.0143	1
Leishmania major	calcium-transporting ATPase, putative	0.0014	0.0018	0.0009
Mycobacterium leprae	POSSIBLE HYDROLASE MUTT1	0.0053	0.0143	1
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.1843	0.5891	1
Echinococcus granulosus	phosphoglycerate mutase	0.0053	0.0143	0.0126
Echinococcus granulosus	phosphoglycerate mutase	0.0053	0.0143	0.0126
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.0028	0.1479
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0053	0.0143	0.0143
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0017	0.0028	0.0041
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0053	0.0143	0.0143
Leishmania major	hypothetical protein, unknown function	0.0053	0.0143	0.0135
Trypanosoma brucei	calcium motive p-type ATPase, putative	0.0014	0.0018	0.0018
Trypanosoma brucei	phosphoglycerate mutase protein, putative	0.0053	0.0143	0.0143
Mycobacterium ulcerans	bifunctional RNase H/acid phosphatase	0.0053	0.0143	0.0225
Echinococcus multilocularis	sodium:potassium transporting ATPase subunit	0.0026	0.0056	0.0039
Schistosoma mansoni	hypothetical protein	0.0053	0.0143	0.0126
Leishmania major	hypothetical protein, conserved	0.0053	0.0143	0.0135
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0017	0.0028	0.002
Echinococcus multilocularis	phosphoglycerate mutase	0.0053	0.0143	0.0126
Echinococcus granulosus	sarco:endoplasmic reticulum calcium ATPase	0.0017	0.0028	0.0011
Leishmania major	hypothetical protein, conserved	0.0053	0.0143	0.0135
Mycobacterium tuberculosis	Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.0053	0.0143	1
Loa Loa (eye worm)	hypothetical protein	0.3071	0.9831	0.9831
Leishmania major	calcium-translocating P-type ATPase	0.0017	0.0028	0.002
Brugia malayi	Na,K-ATPase alpha subunit	0.0017	0.0028	0.199
Echinococcus multilocularis	nervana 2	0.0026	0.0056	0.0039
Brugia malayi	Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type	0.0014	0.0018	0.1226
Brugia malayi	phosphoglycerate mutase family protein	0.0053	0.0143	1
Toxoplasma gondii	calcium-translocating P-type ATPase, PMCA-type protein	0.0017	0.0028	0.1479
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0053	0.0143	0.0143
Leishmania major	glycerolphosphate mutase, putative	0.0053	0.0143	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0056	0.0056
Mycobacterium tuberculosis	Conserved protein	0.0053	0.0143	1
Leishmania major	phosphoglycerate mutase protein, putative	0.0053	0.0143	0.0135
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0053	0.0143	0.0143
Trypanosoma brucei	calcium-translocating P-type ATPase	0.0014	0.0018	0.0018
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3123	1	1
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0026	0.0056	0.0039
Giardia lamblia	Hypothetical protein	0.1843	0.5891	1
Mycobacterium ulcerans	hypothetical protein	0.0053	0.0143	0.0225
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0053	0.0143	1
Mycobacterium ulcerans	phosphoglycerate mutase	0.0053	0.0143	0.0225
Toxoplasma gondii	sarco/endoplasmic reticulum Ca2+-ATPase	0.0017	0.0028	0.1479
Leishmania major	P-type ATPase, putative	0.0014	0.0018	0.0009
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM)	0.0053	0.0143	1
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3071	0.9831	0.9831
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0017	0.0028	0.0041
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0053	0.0143	0.0143
Echinococcus multilocularis	sarco:endoplasmic reticulum calcium ATPase	0.0017	0.0028	0.0011
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1333	0.4252	0.4252
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0053	0.0143	0.0143
Mycobacterium ulcerans	metal cation-transporting p-type ATPase F, CtpF	0.0017	0.0028	0.003
Schistosoma mansoni	hypothetical protein	0.0053	0.0143	0.0126
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0053	0.0143	1
Plasmodium vivax	phosphoglucomutase-2, putative	0.0053	0.0143	1
Onchocerca volvulus	Protein UBASH3A homolog	0.0053	0.0143	0.0115
Schistosoma mansoni	ATPase	0.0017	0.0028	0.0011
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0053	0.0143	1
Trypanosoma brucei	glycerolphosphate mutase, putative	0.0053	0.0143	0.0143
Onchocerca volvulus		0.0026	0.0056	0.0028
Loa Loa (eye worm)	calcium ATPase	0.001	0.0005	0.0005
Toxoplasma gondii	P-type ATPase4, putative	0.0017	0.0028	0.1479
Trypanosoma cruzi	P-type H+-ATPase, putative	0.0011	0.0009	0.0009
Trypanosoma brucei	Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative	0.0053	0.0143	0.0143
Schistosoma mansoni	hypothetical protein	0.0053	0.0143	0.0126
Echinococcus multilocularis	nervana 2	0.0026	0.0056	0.0039
Mycobacterium leprae	conserved hypothetical protein	0.0053	0.0143	1
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.0028	0.1479
Echinococcus granulosus	calcium transporting ATPase type 2C member	0.0017	0.0028	0.0011
Treponema pallidum	phosphoglyceromutase	0.0053	0.0143	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0143	0.0143
Trypanosoma cruzi	P-type H+-ATPase, putative	0.0011	0.0009	0.0009
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqD	0.0053	0.0143	1
Echinococcus multilocularis	phosphoglycerate mutase	0.0053	0.0143	0.0126
Giardia lamblia	Plasma membrane calcium-transporting ATPase 2	0.0017	0.0028	0.0019
Trypanosoma brucei	P-type H+-ATPase, putative	0.0011	0.0009	0.0009
Onchocerca volvulus		0.0053	0.0143	0.0115
Echinococcus granulosus	nervana 2	0.0026	0.0056	0.0039
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0053	0.0143	0.0126
Brugia malayi	Membrane calcium atpase protein 3	0.0014	0.0018	0.1226
Onchocerca volvulus		0.0026	0.0056	0.0028
Schistosoma mansoni	Na+/K+ transporting ATPase subunit alpha	0.0017	0.0028	0.0011
Echinococcus multilocularis	phosphoglycerate mutase	0.0053	0.0143	0.0126
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 2	0.0017	0.0028	0.0028
Schistosoma mansoni	sodium / potassium ATPase beta chain	0.0026	0.0056	0.0039
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0143	1
Trypanosoma brucei	P-type H+-ATPase, putative	0.0011	0.0009	0.0009
Mycobacterium tuberculosis	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0053	0.0143	1
Mycobacterium tuberculosis	Possible hydrolase MutT1	0.0053	0.0143	1
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.1843	0.5891	1
Trypanosoma brucei	phosphoglycerate mutase, putative	0.0053	0.0143	0.0143
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0017	0.0028	0.1479
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0053	0.0143	1
Loa Loa (eye worm)	phosphoglycerate mutase	0.0053	0.0143	0.0143
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.0028	0.1479
Schistosoma mansoni	phosphoglycerate mutase	0.0053	0.0143	0.0126
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0053	0.0143	0.0235
Mycobacterium ulcerans	acid phosphatase	0.0053	0.0143	0.0225
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.0053	0.0143	0.5
Mycobacterium tuberculosis	PE-PGRS family protein PE_PGRS11	0.0053	0.0143	1
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.3123	1	1
Onchocerca volvulus		0.0053	0.0143	0.0115
Mycobacterium ulcerans	hydrolase MutT1	0.0053	0.0143	0.0225
Echinococcus granulosus	phosphoglycerate mutase	0.0053	0.0143	0.0126
Mycobacterium tuberculosis	Conserved protein	0.0053	0.0143	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0143	0.0143
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.0028	0.1479
Trypanosoma brucei	vacuolar-type Ca2+-ATPase, putative	0.0017	0.0028	0.0028
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0053	0.0143	0.0126
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0026	0.0056	0.0039
Schistosoma mansoni	phosphoglycerate mutase	0.0053	0.0143	0.0126
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0017	0.0028	0.1479
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0053	0.0143	1
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0053	0.0143	0.0126
Onchocerca volvulus		0.3123	1	1
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0014	0.0018	0.0018
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0026	0.0056	0.0039
Leishmania major	phosphoglycerate mutase family member 5, putative	0.0053	0.0143	0.0135
Mycobacterium leprae	conserved hypothetical protein	0.0053	0.0143	1
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0017	0.0028	0.1479
Brugia malayi	haloacid dehalogenase-like hydrolase family protein	0.001	0.0005	0.032
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0028	0.0028
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.3071	0.9831	0.9831
Echinococcus granulosus	phosphoglycerate mutase	0.0053	0.0143	0.0126
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0014	0.0018	0.0667
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0026	0.0056	0.0039
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1333	0.4252	0.4252
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0017	0.0028	0.0028
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0017	0.0028	0.1479
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0053	0.0143	0.0143
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0053	0.0143	1
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0017	0.0028	0.0028
Echinococcus multilocularis	phosphoglycerate mutase	0.0053	0.0143	0.0126
Plasmodium falciparum	phosphoglucomutase-2	0.0053	0.0143	1
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.3071	0.9831	0.9831
Echinococcus multilocularis	nervana 2	0.0026	0.0056	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0143	0.0143
Loa Loa (eye worm)	E1-E2 ATPase	0.0011	0.0009	0.0009
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 1	0.0017	0.0028	0.0028
Mycobacterium tuberculosis	Glucosyl-3-phosphoglycerate phosphatase GpgP	0.0053	0.0143	1
Echinococcus multilocularis	nervana 2	0.0026	0.0056	0.0039
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0053	0.0143	0.0143
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0053	0.0143	0.0143
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0026	0.0056	0.0039
Leishmania major	phosphoglycerate mutase, putative	0.0053	0.0143	0.0135
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0053	0.0143	0.0126
Toxoplasma gondii	plasma membrane-type Ca(2+)-ATPase A1 PMCAA1	0.0014	0.0018	0.0667
Entamoeba histolytica	phosphoglycerate mutase family protein. putative	0.0053	0.0143	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0028	0.0028
Schistosoma mansoni	transmemberane protein	0.0026	0.0056	0.0039
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3123	1	1
Mycobacterium leprae	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0053	0.0143	1
Entamoeba histolytica	calcium-transporting P-type ATPase, putative	0.0017	0.0028	0.0041
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0014	0.0018	0.0018
Mycobacterium ulcerans	metal cation transporter p-type ATPase a	0.0017	0.0028	0.003
Mycobacterium ulcerans	phosphohistidine phosphatase SixA	0.0053	0.0143	0.0225
Echinococcus granulosus	nervana 2	0.0026	0.0056	0.0039
Trypanosoma cruzi	Calcium ATPase SERCA-like	0.0017	0.0028	0.0028
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.3071	0.9831	0.9831
Echinococcus multilocularis	phosphoglycerate mutase	0.0053	0.0143	0.0126
Echinococcus multilocularis	phosphoglycerate mutase	0.0053	0.0143	0.0126
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0053	0.0143	0.0235
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1333	0.4252	0.4252
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0026	0.0056	0.0039
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0053	0.0143	0.0143
Schistosoma mansoni	hypothetical protein	0.0053	0.0143	0.0126
Toxoplasma gondii	phosphoglycerate mutase	0.0053	0.0143	1
Toxoplasma gondii	phosphoglycerate mutase PGMII	0.0053	0.0143	1
Leishmania major	fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein	0.0053	0.0143	0.0135
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0053	0.0143	0.0143
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0017	0.0028	0.0041
Giardia lamblia	Hypothetical protein	0.1843	0.5891	1
Onchocerca volvulus	Protein UBASH3A homolog	0.0053	0.0143	0.0115
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0026	0.0056	0.0039
Mycobacterium ulcerans	lipoprotein LpqD	0.0053	0.0143	0.0225
Loa Loa (eye worm)	sodium/potassium-transporting ATPase subunit alpha	0.0012	0.0011	0.0011
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0053	0.0143	0.0143
Echinococcus granulosus	nervana 2	0.0026	0.0056	0.0039
Onchocerca volvulus	Protein UBASH3A homolog	0.0053	0.0143	0.0115
Loa Loa (eye worm)	hypothetical protein	0.3123	1	1
Schistosoma mansoni	6-phosphofructokinase	0.3123	1	1
Brugia malayi	E1-E2 ATPase family protein	0.0011	0.0009	0.0599
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0053	0.0143	1
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE)	0.0053	0.0143	1
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0053	0.0143	0.0143
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3123	1	1
Echinococcus granulosus	sodium:potassium transporting ATPase subunit	0.0026	0.0056	0.0039
Mycobacterium ulcerans	phosphoglyceromutase	0.0053	0.0143	0.0225
Mycobacterium leprae	conserved hypothetical protein	0.0053	0.0143	1
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3123	1	1
Onchocerca volvulus	Protein UBASH3A homolog	0.0053	0.0143	0.0115
Brugia malayi	Sodium/potassium-transporting ATPase alpha chain, putative	0.0012	0.0011	0.0764
Brugia malayi	phosphoglycerate mutase family protein	0.0053	0.0143	1
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0053	0.0143	1
Echinococcus multilocularis	Tetracycline resistance leader peptide, TetL	0.0017	0.0028	0.0011
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0053	0.0143	1
Schistosoma mansoni	hypothetical protein	0.0053	0.0143	0.0126
Mycobacterium ulcerans	hypothetical protein	0.0053	0.0143	0.0225
Loa Loa (eye worm)	Na,K-ATPase alpha subunit	0.0017	0.0028	0.0028
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0026	0.0056	0.0039
Echinococcus granulosus	nervana 2	0.0026	0.0056	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0056	0.0056
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0053	0.0143	0.0143
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0026	0.0056	0.0039
Echinococcus granulosus	plasma membrane calcium transporting ATPase 2	0.0017	0.0028	0.0011
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0053	0.0143	0.0143

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.1 uM	Concentration required to inhibit the activity of K+ stimulated gastric ATPase	ChEMBL.	1326634
IC50 (binding)	= 6.1 uM	Concentration required to inhibit the activity of K+ stimulated gastric ATPase	ChEMBL.	1326634
Inhibition (functional)	= 12.5 %	Inhibition of pentagastrin stimulated gastric acid secretion in anesthetized rat at 10 umol/kg upon intravenous administration	ChEMBL.	1326634
Inhibition (functional)	= 12.5 %	Inhibition of pentagastrin stimulated gastric acid secretion in anesthetized rat at 10 umol/kg upon intravenous administration	ChEMBL.	1326634

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: 10016400

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 188602