TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 438.7 | Formula: C19H17BrClNO4
H donors: 1 H acceptors: 2 LogP: 2.56 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CC[C@H]1OCC(=C2C1=NC1=C([C@H]2c2ccc(c(c2)Cl)Br)C(=O)COC1)O
InChi: 1S/C19H17BrClNO4/c1-2-15-19-18(14(24)8-26-15)16(9-3-4-10(20)11(21)5-9)17-12(22-19)6-25-7-13(17)23/h3-5,15-16,24H,2,6-8H2,1H3/t15-,16-/m1/s1
InChiKey: KUIOIHQBUWMGSN-HZPDHXFCSA-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	potassium inwardly-rectifying channel, subfamily J, member 11	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	6-phosphofructokinase	0.0034	0.0515	0.1782
Echinococcus granulosus	lamin dm0	0.0031	0.0442	0.0427
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0032	0.0461	0.0434
Loa Loa (eye worm)	animal heme peroxidase	0.0237	0.5939	0.7412
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Echinococcus granulosus	pyruvate kinase	0.002	0.0141	0.0126
Entamoeba histolytica	aldose reductase, putative	0.0032	0.0461	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0237	0.5939	0.7412
Echinococcus granulosus	aldo keto reductase	0.0032	0.0461	0.0447
Loa Loa (eye worm)	glutaminase 2	0.0314	0.8012	1
Trypanosoma brucei	pyruvate kinase 1	0.0038	0.0637	0.1839
Loa Loa (eye worm)	hypothetical protein	0.003	0.0426	0.0532
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0032	0.0461	0.1215
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.0102	0.2344	0.2926
Toxoplasma gondii	pyruvate kinase PyK1	0.0038	0.0637	0.233
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0123	0.2914	0.8837
Toxoplasma gondii	phosphofructokinase PFKII	0.0034	0.0515	0.1782
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.053	0.0416
Brugia malayi	glutathione reductase	0.0054	0.1062	0.1262
Entamoeba histolytica	phosphofructokinase, putative	0.0124	0.2939	1
Onchocerca volvulus	Peroxidasin homolog	0.0237	0.5939	0.8569
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0442	0.0551
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Mycobacterium tuberculosis	Probable dehydrogenase	0.0123	0.2914	0.8837
Plasmodium falciparum	glutathione reductase	0.0054	0.1062	1
Schistosoma mansoni	aldo-keto reductase	0.0032	0.0461	0.0347
Plasmodium vivax	6-phosphofructokinase, putative	0.0034	0.0515	0.4201
Schistosoma mansoni	hypothetical protein	0.0047	0.0877	0.0768
Brugia malayi	Animal haem peroxidase family protein	0.0237	0.5939	0.7393
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0034	0.0515	0.4201
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0442	0.0551
Trypanosoma brucei	trypanothione reductase	0.0054	0.1062	0.3347
Onchocerca volvulus		0.0032	0.0461	0.003
Onchocerca volvulus	Pyruvate kinase homolog	0.0038	0.0637	0.0304
Onchocerca volvulus		0.0237	0.5939	0.8569
Echinococcus multilocularis	neurogenic locus protein delta	0.0047	0.0877	0.0863
Echinococcus multilocularis	pyruvate kinase	0.002	0.0141	0.0126
Entamoeba histolytica	aldose reductase, putative	0.0032	0.0461	0.0508
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0034	0.0515	0.5226
Mycobacterium ulcerans	6-phosphofructokinase	0.0124	0.2939	0.3574
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.0461	0.0506
Echinococcus granulosus	protein jagged 1	0.0047	0.0877	0.0863
Brugia malayi	EGF-like domain containing protein	0.0047	0.0877	0.1029
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Echinococcus granulosus	aldehyde reductase	0.0022	0.0217	0.0202
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0124	0.2939	0.8918
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Brugia malayi	GCC2 and GCC3 family protein	0.0047	0.0877	0.1029
Toxoplasma gondii	pyruvate kinase PyKII	0.002	0.0141	0.0101
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0034	0.0515	0.1406
Loa Loa (eye worm)	hypothetical protein	0.0102	0.2344	0.2926
Echinococcus multilocularis	slit 2 protein	0.0047	0.0877	0.0863
Echinococcus multilocularis	lamin	0.0031	0.0442	0.0427
Loa Loa (eye worm)	pyruvate kinase	0.0038	0.0637	0.0795
Echinococcus multilocularis	musashi	0.0031	0.0442	0.0427
Leishmania major	trypanothione reductase	0.0054	0.1062	0.3347
Brugia malayi	EGF-like domain containing protein	0.0047	0.0877	0.1029
Brugia malayi	Animal haem peroxidase family protein	0.0237	0.5939	0.7393
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0461	0.0434
Brugia malayi	Delta serrate ligand family protein	0.0047	0.0877	0.1029
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Onchocerca volvulus	Chorion peroxidase homolog	0.0237	0.5939	0.8569
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0032	0.0461	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Trichomonas vaginalis	phosphofructokinase, putative	0.0034	0.0515	0.0503
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0137	0.3282	1
Schistosoma mansoni	glutaminase	0.0314	0.8012	0.7989
Schistosoma mansoni	peroxidasin	0.0237	0.5939	0.589
Echinococcus granulosus	pyruvate kinase	0.002	0.0141	0.0126
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0124	0.2939	1
Plasmodium falciparum	pyruvate kinase 2	0.002	0.0141	0.0238
Echinococcus granulosus	notch	0.0047	0.0877	0.0863
Echinococcus granulosus	protein jagged 2	0.0047	0.0877	0.0863
Loa Loa (eye worm)	glutaminase	0.0314	0.8012	1
Echinococcus multilocularis	6 phosphofructokinase	0.0124	0.2939	0.2929
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0123	0.2914	0.8837
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.053	0.0515
Loa Loa (eye worm)	oxidoreductase	0.0032	0.0461	0.0575
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0015	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Loa Loa (eye worm)	hypothetical protein	0.0237	0.5939	0.7412
Chlamydia trachomatis	pyruvate kinase	0.0038	0.0637	1
Giardia lamblia	Aldose reductase	0.0032	0.0461	0.4517
Onchocerca volvulus		0.0237	0.5939	0.8569
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.1015	0.1002
Loa Loa (eye worm)	oxidoreductase	0.0032	0.0461	0.0575
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0034	0.0515	0.1782
Brugia malayi	EGF-like domain containing protein	0.0047	0.0877	0.1029
Trichomonas vaginalis	aldo/keto reductase, putative	0.0032	0.0461	0.0434
Loa Loa (eye worm)	Notch2	0.0047	0.0877	0.1095
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0461	0.0447
Trichomonas vaginalis	phosphofructokinase, putative	0.0034	0.0515	0.0503
Loa Loa (eye worm)	hypothetical protein	0.0237	0.5939	0.7412
Onchocerca volvulus		0.0047	0.0877	0.0679
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0442	0.0481
Entamoeba histolytica	phosphofructokinase, putative	0.0124	0.2939	1
Giardia lamblia	Aldose reductase	0.0032	0.0461	0.4517
Echinococcus granulosus	6 phosphofructokinase	0.0124	0.2939	0.2929
Echinococcus granulosus	pyruvate kinase	0.002	0.0141	0.0126
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.1015	0.0908
Plasmodium vivax	SET domain protein, putative	0.0034	0.053	0.4358
Onchocerca volvulus		0.0032	0.0461	0.003
Echinococcus granulosus	slit 2 protein	0.0047	0.0877	0.0863
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.1015	0.1002
Brugia malayi	Calcium binding EGF domain containing protein	0.0047	0.0877	0.1029
Onchocerca volvulus	Dual oxidase homolog	0.0237	0.5939	0.8569
Trypanosoma brucei	prostaglandin f synthase	0.0032	0.0461	0.1215
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0034	0.0515	0.7648
Leishmania major	pyruvate kinase	0.0038	0.0637	0.1839
Brugia malayi	EGF-like domain containing protein	0.0047	0.0877	0.1029
Plasmodium vivax	6-phosphofructokinase, putative	0.0034	0.0515	0.4201
Schistosoma mansoni	notch	0.0047	0.0877	0.0768
Schistosoma mansoni	pyruvate kinase	0.002	0.0141	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0237	0.5939	0.7412
Schistosoma mansoni	hypothetical protein	0.0389	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.053	0.0661
Brugia malayi	Muscle positioning protein 4	0.0047	0.0877	0.1029
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.1015	0.0908
Loa Loa (eye worm)	oxidoreductase	0.0032	0.0461	0.0575
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0038	0.0637	0.0727
Echinococcus multilocularis	lamin dm0	0.0031	0.0442	0.0427
Loa Loa (eye worm)	hypothetical protein	0.0237	0.5939	0.7412
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.0461	0.0506
Plasmodium vivax	pyruvate kinase, putative	0.0038	0.0637	0.5493
Schistosoma mansoni	notch	0.0047	0.0877	0.0768
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0054	0.1062	0.1049
Trypanosoma cruzi	aldo/keto reductase, putative	0.0032	0.0461	0.1215
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Trichomonas vaginalis	aldo/keto reductase, putative	0.0032	0.0461	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Brugia malayi	Pre-SET motif family protein	0.0034	0.053	0.0592
Echinococcus multilocularis	aldo keto reductase	0.0032	0.0461	0.0447
Echinococcus granulosus	neurogenic locus notch protein	0.0047	0.0877	0.0863
Giardia lamblia	Pyruvate kinase	0.0038	0.0637	0.6833
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0461	0.0434
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0461	0.0447
Loa Loa (eye worm)	glutathione reductase	0.0054	0.1062	0.1326
Echinococcus granulosus	neural cadherin	0.0047	0.0877	0.0863
Brugia malayi	Peroxidasin	0.0237	0.5939	0.7393
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.0461	0.0506
Echinococcus multilocularis	pyruvate kinase	0.002	0.0141	0.0126
Schistosoma mansoni	notch	0.0047	0.0877	0.0768
Brugia malayi	hypothetical protein	0.0237	0.5939	0.7393
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.053	0.0416
Echinococcus multilocularis	protein jagged 2	0.0047	0.0877	0.0863
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.1015	0.1002
Loa Loa (eye worm)	hypothetical protein	0.0102	0.2344	0.2926
Loa Loa (eye worm)	thioredoxin reductase	0.0054	0.1062	0.1326
Onchocerca volvulus		0.0032	0.0461	0.003
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0461	0.0434
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0461	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0237	0.5939	0.7412
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0019	0.0118	0.0075
Echinococcus granulosus	aldo keto reductase	0.0032	0.0461	0.0447
Schistosoma mansoni	slit	0.0047	0.0877	0.0768
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Schistosoma mansoni	notch	0.0047	0.0877	0.0768
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0038	0.0637	0.1839
Brugia malayi	glutaminase DH11.1	0.0314	0.8012	1
Loa Loa (eye worm)	6-phosphofructokinase	0.0124	0.2939	0.3669
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0047	0.0877	0.0768
Loa Loa (eye worm)	hypothetical protein	0.0237	0.5939	0.7412
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0637	0.0795
Loa Loa (eye worm)	hypothetical protein	0.0237	0.5939	0.7412
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0019	0.0118	0.5
Schistosoma mansoni	hypothetical protein	0.0047	0.0877	0.0768
Leishmania major	ATP-dependent phosphofructokinase	0.0124	0.2939	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Onchocerca volvulus		0.0271	0.6857	1
Loa Loa (eye worm)	hypothetical protein	0.0237	0.5939	0.7412
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0059	0.0073
Toxoplasma gondii	thioredoxin reductase	0.0054	0.1062	0.4243
Schistosoma mansoni	cell polarity protein	0.0047	0.0877	0.0768
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0442	0.0327
Trichomonas vaginalis	phosphofructokinase, putative	0.0124	0.2939	0.3574
Brugia malayi	EGF-like domain containing protein	0.0047	0.0877	0.1029
Onchocerca volvulus		0.0047	0.0877	0.0679
Schistosoma mansoni	hypothetical protein	0.0389	1	1
Toxoplasma gondii	EGF family domain-containing protein	0.0047	0.0877	0.341
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0461	0.0447
Schistosoma mansoni	notch	0.0047	0.0877	0.0768
Echinococcus multilocularis	neurogenic locus notch protein	0.0047	0.0877	0.0863
Brugia malayi	EGF-like domain containing protein	0.0047	0.0877	0.1029
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0461	0.0434
Brugia malayi	Cadherin domain containing protein	0.0047	0.0877	0.1029
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0019	0.0118	0.5
Echinococcus multilocularis	neurogenic locus notch protein	0.0047	0.0877	0.0863
Trichomonas vaginalis	phosphofructokinase, putative	0.0034	0.0515	0.0503
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0123	0.2914	0.8837
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0124	0.2939	0.8883
Brugia malayi	6-phosphofructokinase	0.0124	0.2939	0.3622
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0034	0.0515	0.0503
Loa Loa (eye worm)	animal heme peroxidase	0.0237	0.5939	0.7412
Trypanosoma cruzi	aldo-keto reductase	0.0032	0.0461	0.1215
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0461	0.0434
Giardia lamblia	High cysteine protein	0.0047	0.0877	1
Onchocerca volvulus	Slit protein homolog	0.0047	0.0877	0.0679
Echinococcus multilocularis	peroxidasin	0.0237	0.5939	0.5933
Onchocerca volvulus		0.0047	0.0877	0.0679
Onchocerca volvulus		0.0237	0.5939	0.8569
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0038	0.0637	0.1371
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.1015	0.1002
Onchocerca volvulus	Pyruvate kinase homolog	0.0038	0.0637	0.0304
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0461	0.0434
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0124	0.2939	1
Loa Loa (eye worm)	oxidoreductase	0.0032	0.0461	0.0575
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.053	0.0416
Onchocerca volvulus		0.0032	0.0461	0.003
Echinococcus granulosus	neurogenic locus notch protein	0.0047	0.0877	0.0863
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0461	0.0447
Schistosoma mansoni	hypothetical protein	0.0047	0.0877	0.0768
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0461	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Trichomonas vaginalis	glutaminase, putative	0.0314	0.8012	1
Schistosoma mansoni	pol-related	0.0032	0.0461	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0102	0.2344	0.2926
Schistosoma mansoni	aldo-keto reductase	0.0032	0.0461	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Loa Loa (eye worm)	notch protein	0.0047	0.0877	0.1095
Echinococcus granulosus	delta-like protein 1	0.0047	0.0877	0.0863
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0461	0.0447
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0034	0.0515	0.7648
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.053	0.0515
Loa Loa (eye worm)	hypothetical protein	0.0237	0.5939	0.7412
Trichomonas vaginalis	set domain proteins, putative	0.0271	0.6857	0.8536
Brugia malayi	phosphofructokinase	0.0124	0.2939	0.3622
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0054	0.1062	0.2985
Brugia malayi	intermediate filament protein	0.0031	0.0442	0.0481
Schistosoma mansoni	lamin	0.0031	0.0442	0.0327
Echinococcus granulosus	peroxidasin	0.0237	0.5939	0.5933
Loa Loa (eye worm)	6-phosphofructokinase	0.0124	0.2939	0.3669
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0038	0.0637	0.1839
Trichomonas vaginalis	pyruvate kinase, putative	0.0038	0.0637	0.0657
Echinococcus multilocularis	pyruvate kinase	0.002	0.0141	0.0126
Echinococcus multilocularis	pyruvate kinase	0.0038	0.0637	0.0623
Schistosoma mansoni	peroxidasin	0.0237	0.5939	0.589
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0047	0.0877	0.1029
Mycobacterium tuberculosis	Probable oxidoreductase	0.0137	0.3282	1
Onchocerca volvulus		0.0047	0.0877	0.0679
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0461	0.0447
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0124	0.2939	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.1015	0.0908
Onchocerca volvulus		0.0034	0.053	0.0137
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0461	0.0447
Mycobacterium ulcerans	oxidoreductase	0.0032	0.0461	0.0434
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0123	0.2914	0.88
Onchocerca volvulus		0.0047	0.0877	0.0679
Brugia malayi	Thioredoxin reductase	0.0054	0.1062	0.1262
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0328	0.041
Brugia malayi	Calcium binding EGF domain containing protein	0.0047	0.0877	0.1029
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Echinococcus granulosus	thioredoxin glutathione reductase	0.0054	0.1062	0.1049
Plasmodium falciparum	pyruvate kinase	0.0038	0.0637	0.5493
Echinococcus granulosus	aldo keto reductase	0.0032	0.0461	0.0447
Echinococcus granulosus	pyruvate kinase	0.0038	0.0637	0.0623
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0442	0.0551
Brugia malayi	Animal haem peroxidase family protein	0.0237	0.5939	0.7393
Leishmania major	prostaglandin f synthase, putative	0.0032	0.0461	0.1215
Brugia malayi	6-phosphofructokinase	0.0124	0.2939	0.3622
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0461	0.0434
Schistosoma mansoni	6-phosphofructokinase	0.0124	0.2939	0.2855
Schistosoma mansoni	lamin	0.0031	0.0442	0.0327
Onchocerca volvulus	Peroxidase homolog	0.0237	0.5939	0.8569
Brugia malayi	EGF-like domain containing protein	0.0047	0.0877	0.1029
Echinococcus multilocularis	protein jagged 1	0.0047	0.0877	0.0863
Schistosoma mansoni	laminin gamma-3 chain	0.0047	0.0877	0.0768
Entamoeba histolytica	phosphofructokinase, putative	0.0124	0.2939	1
Leishmania major	pyruvate kinase	0.0038	0.0637	0.1839
Echinococcus multilocularis	geminin	0.0389	1	1
Echinococcus granulosus	protein jagged 1	0.0047	0.0877	0.0863
Toxoplasma gondii	hypothetical protein	0.0102	0.2344	1
Echinococcus granulosus	lamin	0.0031	0.0442	0.0427
Echinococcus granulosus	intermediate filament protein	0.0031	0.0442	0.0427
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0019	0.0118	0.0103
Loa Loa (eye worm)	animal heme peroxidase	0.0237	0.5939	0.7412
Trypanosoma brucei	aldo-keto reductase, putative	0.0032	0.0461	0.1215
Trichomonas vaginalis	phosphofructokinase, putative	0.0124	0.2939	0.3574
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0461	0.0447
Onchocerca volvulus		0.0032	0.0461	0.003
Echinococcus granulosus	protein jagged 2	0.0047	0.0877	0.0863
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0461	0.0434
Brugia malayi	Animal haem peroxidase family protein	0.0237	0.5939	0.7393
Plasmodium vivax	thioredoxin reductase, putative	0.0054	0.1062	1
Echinococcus multilocularis	neural cadherin	0.0047	0.0877	0.0863
Brugia malayi	Cadherin domain containing protein	0.0047	0.0877	0.1029
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0238	0.5978	0.7461
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0461	0.0447
Schistosoma mansoni	pyruvate kinase	0.0038	0.0637	0.0525
Trichomonas vaginalis	phosphofructokinase, putative	0.0034	0.0515	0.0503
Onchocerca volvulus	Neurogenic locus notch homolog	0.0047	0.0877	0.0679
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0034	0.053	0.1849
Schistosoma mansoni	hypothetical protein	0.0047	0.0877	0.0768
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0461	0.0447
Echinococcus multilocularis	aldehyde reductase	0.0022	0.0217	0.0202
Echinococcus granulosus	hypothetical protein	0.0032	0.0461	0.0447
Loa Loa (eye worm)	pyruvate kinase	0.0038	0.0637	0.0795
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0461	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0237	0.5939	0.7412
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0019	0.0118	0.0103
Echinococcus multilocularis	pyruvate kinase	0.003	0.0422	0.0408
Echinococcus granulosus	neurogenic locus notch protein 4	0.0047	0.0877	0.0863
Mycobacterium ulcerans	pyruvate kinase	0.0038	0.0637	0.0657
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Brugia malayi	notch-like transmembrane receptor	0.0047	0.0877	0.1029
Schistosoma mansoni	6-phosphofructokinase	0.0124	0.2939	0.2855
Entamoeba histolytica	aldose reductase, putative	0.0032	0.0461	0.0508
Loa Loa (eye worm)	pyruvate kinase-PB	0.0027	0.0328	0.041
Trichomonas vaginalis	pyruvate kinase, putative	0.0038	0.0637	0.0657
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0461	0.0434
Schistosoma mansoni	hypothetical protein	0.0047	0.0877	0.0768
Echinococcus multilocularis	neurogenic locus protein delta	0.0047	0.0877	0.0863
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.1015	0.1267
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0461	0.0447
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0461	0.0434
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0461	0.0447
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0461	0.0447
Mycobacterium tuberculosis	Probable reductase	0.0123	0.2914	0.8837
Onchocerca volvulus		0.0032	0.0461	0.003
Trichomonas vaginalis	phosphofructokinase, putative	0.0124	0.2939	0.3574
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0038	0.0637	0.0727
Trypanosoma cruzi	trypanothione reductase, putative	0.0054	0.1062	0.3347
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0461	0.0447
Echinococcus granulosus	fibropellin Ia	0.0047	0.0877	0.0863
Leishmania major	aldo-keto reductase-like protein	0.0032	0.0461	0.1215
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0461	0.0434
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.0461	0.0434
Trypanosoma brucei	pyruvate kinase 1, putative	0.0038	0.0637	0.1839
Loa Loa (eye worm)	animal heme peroxidase	0.0237	0.5939	0.7412
Loa Loa (eye worm)	pyruvate kinase	0.0038	0.0637	0.0795
Loa Loa (eye worm)	hypothetical protein	0.0237	0.5939	0.7412
Onchocerca volvulus	Putative cubilin	0.0047	0.0877	0.0679
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0032	0.0461	0.0797
Giardia lamblia	Pyruvate kinase	0.002	0.0141	0.0296
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.1015	0.1203
Mycobacterium tuberculosis	Probable oxidoreductase	0.0032	0.0461	0.1084
Trichomonas vaginalis	phosphofructokinase, putative	0.0034	0.0515	0.0503
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0461	0.0447
Onchocerca volvulus	Pyruvate kinase homolog	0.0038	0.0637	0.0304
Brugia malayi	Calcium binding EGF domain containing protein	0.0047	0.0877	0.1029
Loa Loa (eye worm)	hypothetical protein	0.0237	0.5939	0.7412
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0047	0.0877	0.0679
Schistosoma mansoni	notch	0.0047	0.0877	0.0768
Trichomonas vaginalis	aldo/keto reductase, putative	0.0032	0.0461	0.0434
Schistosoma mansoni	hypothetical protein	0.0047	0.0877	0.0768
Brugia malayi	Animal haem peroxidase family protein	0.0237	0.5939	0.7393
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0461	0.0575
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.053	0.0416
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0047	0.0877	0.0863
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.053	0.0515
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0034	0.0515	0.0714
Echinococcus multilocularis	fibropellin Ia	0.0047	0.0877	0.0863
Echinococcus multilocularis	aldo keto reductase	0.0032	0.0461	0.0447
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0461	0.0447
Toxoplasma gondii	aldose reductase, putative	0.0032	0.0461	0.154
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0123	0.2914	0.8837
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0034	0.0515	0.4201
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0137	0.3282	1
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0038	0.0637	0.164
Schistosoma mansoni	septate junction protein	0.0047	0.0877	0.0768
Loa Loa (eye worm)	hypothetical protein	0.0237	0.5939	0.7412
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0461	0.0447
Echinococcus granulosus	pyruvate kinase	0.0038	0.0637	0.0623
Plasmodium vivax	glutathione reductase, putative	0.0054	0.1062	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0032	0.0461	0.0434
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0137	0.3282	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.0461	0.0506
Plasmodium falciparum	thioredoxin reductase	0.0054	0.1062	1
Echinococcus multilocularis	aldo keto reductase	0.0032	0.0461	0.0447
Echinococcus multilocularis	pyruvate kinase	0.0038	0.0637	0.0623
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Loa Loa (eye worm)	phosphofructokinase	0.0124	0.2939	0.3669
Loa Loa (eye worm)	blistered cuticle protein 3	0.0237	0.5939	0.7412
Echinococcus multilocularis	aldo keto reductase	0.0032	0.0461	0.0447
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0496	0.0482
Echinococcus multilocularis	protein jagged 1	0.0047	0.0877	0.0863
Brugia malayi	Blistered cuticle protein 3	0.0237	0.5939	0.7393
Trichomonas vaginalis	phosphofructokinase, putative	0.0034	0.0515	0.0503
Trichomonas vaginalis	phosphofructokinase, putative	0.0124	0.2939	0.3574
Echinococcus multilocularis	notch	0.0047	0.0877	0.0863
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0877	0.1095
Schistosoma mansoni	hypothetical protein	0.0047	0.0877	0.0768
Onchocerca volvulus	Peroxidase homolog	0.0237	0.5939	0.8569
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0047	0.0877	0.0863
Brugia malayi	Pre-SET motif family protein	0.0238	0.5978	0.7442
Mycobacterium ulcerans	glutaminase	0.0314	0.8012	1
Onchocerca volvulus	Peroxidasin homolog	0.0237	0.5939	0.8569
Echinococcus granulosus	neurogenic locus protein delta	0.0047	0.0877	0.0863
Loa Loa (eye worm)	oxidoreductase	0.0032	0.0461	0.0575
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0032	0.0461	0.1215
Schistosoma mansoni	pyruvate kinase	0.0038	0.0637	0.0525
Plasmodium vivax	pyruvate kinase 2, putative	0.002	0.0141	0.0238

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	0	Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay	ChEMBL.	17154517
EC50 (functional)	= -6.61	Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay	ChEMBL.	17154517
EC50 (functional)	= -6.61	Activity against pig bladder KATP channel opening assessed as ability to relax spontaneous bladder contraction	ChEMBL.	17154517
EC50 (functional)	= -6	Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay	ChEMBL.	17154517
EC50 (functional)	= -5.79	Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay	ChEMBL.	17154517
EC50 (functional)	= -4.87	Activity against pig bladder KATP channel opening assessed as ability to relax field-stimulated pig detrusor	ChEMBL.	17154517
Efficacy (functional)	= 37 %	Ability to open human urinary bladder Kir6.2 containing SUR2B in Ltk cells by FLIPR assay relative to P1075	ChEMBL.	17154517
Efficacy (functional)	= 37 %	Ability to open human urinary bladder Kir6.2 containing SUR2B in Ltk cells by FLIPR assay relative to P1075	ChEMBL.	17154517
Efficacy (functional)	= 38 %	Activity against pig bladder KATP channel opening assessed as ability to relax field-stimulated pig detrusor relative to P1075	ChEMBL.	17154517
Efficacy (functional)	= 38 %	Activity against pig bladder KATP channel opening assessed as ability to relax field-stimulated pig detrusor relative to P1075	ChEMBL.	17154517
Efficacy (functional)	= 46 %	Ability to open human urinary bladder Kir6.2 containing SUR2B in Ltk cells by FLIPR assay relative to P1075	ChEMBL.	17154517
Efficacy (functional)	= 46 %	Ability to open human urinary bladder Kir6.2 containing SUR2B in Ltk cells by FLIPR assay relative to P1075	ChEMBL.	17154517
Efficacy (functional)	= 76 %	Ability to open human urinary bladder Kir6.2 containing SUR2B in Ltk cells by FLIPR assay relative to P1075	ChEMBL.	17154517
Efficacy (functional)	= 76 %	Ability to open human urinary bladder Kir6.2 containing SUR2B in Ltk cells by FLIPR assay relative to P1075	ChEMBL.	17154517
Efficacy (functional)	= 97 %	Activity against pig bladder KATP channel opening assessed as ability to relax spontaneous bladder contraction relative to P1075	ChEMBL.	17154517
Efficacy (functional)	= 97 %	Activity against pig bladder KATP channel opening assessed as ability to relax spontaneous bladder contraction relative to P1075	ChEMBL.	17154517
Log EC50 (functional)	= 4.87	Activity against pig bladder KATP channel opening assessed as ability to relax field-stimulated pig detrusor	ChEMBL.	17154517
Log EC50 (functional)	= 5.79	Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay	ChEMBL.	17154517
Log EC50 (functional)	= 6	Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay	ChEMBL.	17154517
Log EC50 (functional)	= 6.61	Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay	ChEMBL.	17154517
Log EC50 (functional)	= 6.61	Activity against pig bladder KATP channel opening assessed as ability to relax spontaneous bladder contraction	ChEMBL.	17154517

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 374343