TDR Targets

Basic information

Technical information

TDR Targets ID: 763753
Name: [4-[1-(4-methylsulfanylbutan-2-yl)piperidin-4 -yl]oxyphenyl]-pyrrolidin-1-ylmethanone
MW: 376.556 | Formula: C21H32N2O2S
H donors: 0 H acceptors: 1 LogP: 3.87 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CSCCC(N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCCC1)C
InChi: 1S/C21H32N2O2S/c1-17(11-16-26-2)22-14-9-20(10-15-22)25-19-7-5-18(6-8-19)21(24)23-12-3-4-13-23/h5-8,17,20H,3-4,9-16H2,1-2H3
InChiKey: KPAXKGOHNSCCAD-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

[4-[[1-(1-methyl-3-methylsulfanyl-propyl)-4-piperidyl]oxy]phenyl]-pyrrolidin-1-yl-methanone
[4-[[1-[1-methyl-3-(methylthio)propyl]-4-piperidinyl]oxy]phenyl]-1-pyrrolidinylmethanone
[4-[[1-[1-methyl-3-(methylthio)propyl]-4-piperidyl]oxy]phenyl]-pyrrolidin-1-yl-methanone
[4-[1-(4-methylsulfanylbutan-2-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Schistosoma mansoni	Thioredoxin glutathione reductase	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium vivax	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Leishmania donovani	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma brucei gambiense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania major	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania mexicana	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Plasmodium yoelii	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium berghei	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Babesia bovis	thiodoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Cryptosporidium parvum	thioredoxin reductase 1	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania infantum	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus granulosus	thioredoxin glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium knowlesi	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Cryptosporidium hominis	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Plasmodium falciparum	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Toxoplasma gondii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Leishmania braziliensis	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	Get druggable targets OG5_126785	All targets in OG5_126785
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	Get druggable targets OG5_126785	All targets in OG5_126785
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium knowlesi	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trypanosoma brucei	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	Thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium falciparum	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trypanosoma cruzi	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium vivax	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Neospora caninum	Glutathione reductase, related	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Plasmodium berghei	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Neospora caninum	MGC84926 protein, related	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Theileria parva	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma congolense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus multilocularis	thioredoxin glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus		Thioredoxin glutathione reductase	598 aa	533 aa	50.8 %
Plasmodium berghei	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	538 aa	25.3 %
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	521 aa	21.5 %
Neospora caninum	hypothetical protein	Thioredoxin glutathione reductase	598 aa	485 aa	30.5 %
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	Thioredoxin glutathione reductase	598 aa	513 aa	25.0 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Plasmodium yoelii	dihydrolipoamide dehydrogenase	Thioredoxin glutathione reductase	598 aa	537 aa	24.2 %
Plasmodium knowlesi	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	518 aa	22.0 %
Neospora caninum	Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related	Thioredoxin glutathione reductase	598 aa	512 aa	28.3 %
Toxoplasma gondii	NADPH-glutathione reductase	Thioredoxin glutathione reductase	598 aa	555 aa	33.5 %
Neospora caninum	glutathione reductase, putative	Thioredoxin glutathione reductase	598 aa	532 aa	34.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0542	0.2255
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.003	0.016	0.016
Echinococcus multilocularis	solute carrier family 22	0.003	0.016	0.072
Schistosoma mansoni	lysyl-tRNA synthetase	0.0048	0.0358	0.1612
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0048	0.0358	0.5413
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.003	0.016	0.4467
Trichomonas vaginalis	CAMK family protein kinase	0.0066	0.0557	0.2508
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Treponema pallidum	prolyl-tRNA synthetase	0.0023	0.0077	1
Brugia malayi	Sugar transporter family protein	0.0214	0.2221	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0066	0.0557	0.2508
Trypanosoma brucei	glucose transporter, putative	0.0066	0.0566	0.8565
Plasmodium vivax	lysine--tRNA ligase, putative	0.0048	0.0358	0.0358
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Brugia malayi	Cam kinase protein 1	0.0066	0.0557	0.2508
Trichomonas vaginalis	glucose transporter, putative	0.0066	0.0566	0.2551
Loa Loa (eye worm)	sugar transporter	0.003	0.016	0.0492
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.003	0.016	0.1428
Trypanosoma brucei	glucose transporter, putative	0.0066	0.0566	0.8565
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0441	0.179
Giardia lamblia	Lysyl-tRNA synthetase	0.0048	0.0358	0.6603
Schistosoma mansoni	hypothetical protein	0.0214	0.2221	1
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.003	0.016	0.072
Onchocerca volvulus		0.003	0.016	0.5
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0104	0.0989	0.8837
Leishmania major	lysyl-tRNA synthetase, putative	0.0048	0.0358	0.5413
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0041	0.0277	0.2477
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Schistosoma mansoni	zinc finger protein	0.0024	0.0087	0.0394
Trichomonas vaginalis	conserved hypothetical protein	0.0214	0.2221	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0066	0.0557	0.2508
Trypanosoma brucei	glucose transporter, putative	0.0066	0.0566	0.8565
Loa Loa (eye worm)	hypothetical protein	0.003	0.016	0.0492
Plasmodium vivax	proline--tRNA ligase, putative	0.0075	0.0661	0.0661
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.0062	0.0038
Trichomonas vaginalis	sugar transporter, putative	0.0066	0.0566	0.2551
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0075	0.0661	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0214	0.2221	1
Toxoplasma gondii	protein kinase, putative	0.0605	0.6598	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.003	0.016	0.0492
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0053	0.024
Loa Loa (eye worm)	hypothetical protein	0.003	0.016	0.0492
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Loa Loa (eye worm)	hypothetical protein	0.003	0.016	0.0492
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0104	0.0989	0.8837
Toxoplasma gondii	sugar transporter ST1	0.003	0.016	0.0242
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0214	0.2221	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0214	0.2221	1
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0075	0.0661	1
Trypanosoma brucei	glucose transporter, putative	0.0066	0.0566	0.8565
Plasmodium vivax	sugar transporter, putative	0.003	0.016	0.016
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Trypanosoma cruzi	ISWI complex protein	0.0018	0.003	0.0448
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Mycobacterium tuberculosis	Probable dehydrogenase	0.0104	0.0989	0.8837
Schistosoma mansoni	protein kinase	0.0066	0.0557	0.2508
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0066	0.0557	0.0557
Trichomonas vaginalis	sugar transporter, putative	0.0066	0.0566	0.2551
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0064	0.0542	0.94
Trypanosoma brucei	glucose transporter, putative	0.0066	0.0566	0.8565
Trypanosoma brucei	glucose transporter, putative	0.0066	0.0566	0.8565
Trypanosoma cruzi	hexose transporter	0.0066	0.0566	0.8565
Schistosoma mansoni	zinc finger protein	0.0018	0.003	0.0133
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0066	0.0566	0.8565
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0066	0.0566	0.8565
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0214	0.2221	1
Trypanosoma brucei	glucose transporter 2A	0.0066	0.0566	0.8565
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0023	0.0077	0.2147
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0042	0.0292	0.1315
Trypanosoma cruzi	glucose transporter, putative	0.003	0.016	0.2418
Toxoplasma gondii	lysine-tRNA ligase	0.0048	0.0358	0.0543
Mycobacterium tuberculosis	Probable reductase	0.0104	0.0989	0.8837
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.003	0.016	0.4467
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Echinococcus multilocularis	solute carrier family 22	0.003	0.016	0.072
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0309	0.1392
Trypanosoma cruzi	ISWI complex protein	0.0018	0.003	0.0448
Echinococcus granulosus	synaptic vesicle 2 protein	0.003	0.016	0.072
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0064	0.0542	0.2441
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0066	0.0566	0.8565
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0064	0.0542	0.2441
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.063	0.2837
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0342	0.133
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0128	0.0574
Schistosoma mansoni	glucose transport protein	0.0214	0.2221	1
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Loa Loa (eye worm)	hypothetical protein	0.003	0.016	0.0492
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0214	0.2221	1
Echinococcus granulosus	zinc finger protein	0.0024	0.0087	0.0394
Schistosoma mansoni	sugar transporter	0.003	0.016	0.072
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0066	0.0557	0.0557
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0075	0.0661	0.1002
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0214	0.2221	1
Schistosoma mansoni	sugar transporter	0.003	0.016	0.072
Schistosoma mansoni	hypothetical protein	0.0043	0.0309	0.1392
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.003	0.016	0.1428
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0066	0.0557	0.0845
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Echinococcus granulosus	solute carrier family 22	0.003	0.016	0.072
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0309	0.1392
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0441	0.1987
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Loa Loa (eye worm)	major facilitator superfamily transporter	0.003	0.016	0.0492
Brugia malayi	Major Facilitator Superfamily protein	0.003	0.016	0.072
Echinococcus granulosus	solute carrier family 22	0.003	0.016	0.072
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0309	0.139
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0066	0.0557	0.0557
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.003	0.016	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0066	0.0557	0.0845
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0064	0.0542	0.2441
Trichomonas vaginalis	sugar transporter, putative	0.0066	0.0566	0.2551
Mycobacterium ulcerans	integral membrane transport protein	0.003	0.016	0.4467
Schistosoma mansoni	glucose transport protein	0.0214	0.2221	1
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0075	0.0661	1
Onchocerca volvulus		0.003	0.016	0.5
Schistosoma mansoni	protein kinase	0.0066	0.0557	0.2508
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0441	0.1987
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0048	0.0358	1
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.016	0.072
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0334	0.5054
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0053	0.024
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0334	0.0334
Brugia malayi	PHD-finger family protein	0.003	0.016	0.0719
Brugia malayi	Major Facilitator Superfamily protein	0.003	0.016	0.072
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0066	0.0557	0.2508
Trichomonas vaginalis	conserved hypothetical protein	0.0066	0.0566	0.2551
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0064	0.0542	0.2441
Giardia lamblia	Hexose transporter	0.003	0.016	0.295
Onchocerca volvulus		0.003	0.016	0.5
Loa Loa (eye worm)	hypothetical protein	0.003	0.016	0.0492
Brugia malayi	Major Facilitator Superfamily protein	0.003	0.016	0.072
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0075	0.0661	1
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0064	0.0542	0.2441
Onchocerca volvulus		0.003	0.016	0.5
Echinococcus granulosus	histone lysine methyltransferase setb	0.0021	0.0053	0.024
Onchocerca volvulus		0.003	0.016	0.5
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0104	0.0989	0.8837
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Echinococcus granulosus	calcium dependent protein kinase	0.0062	0.0512	0.2304
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0021	0.0053	0.024
Echinococcus granulosus	solute carrier family 22	0.003	0.016	0.072
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0441	0.1987
Trichomonas vaginalis	myo-inositol transporter, putative	0.003	0.016	0.072
Trichomonas vaginalis	glucose transporter, putative	0.003	0.016	0.072
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0066	0.0557	0.0557
Leishmania major	hypothetical protein, conserved	0.003	0.016	0.2418
Onchocerca volvulus		0.003	0.016	0.5
Brugia malayi	Thioredoxin reductase	0.0046	0.0334	0.1505
Plasmodium falciparum	proline--tRNA ligase	0.0075	0.0661	0.0661
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Schistosoma mansoni	lysyl-tRNA synthetase	0.0048	0.0358	0.1612
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0053	0.024
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0102	0.0223
Trypanosoma brucei	glucose transporter, putative	0.0066	0.0566	0.8565
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Toxoplasma gondii	transporter, major facilitator family protein	0.003	0.016	0.0242
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0066	0.0557	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0557	0.2324
Loa Loa (eye worm)	sugar transporter	0.0214	0.2221	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0341	0.1536
Mycobacterium ulcerans	sugar transporter	0.003	0.016	0.4467
Loa Loa (eye worm)	hypothetical protein	0.003	0.016	0.0492
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0048	0.0358	0.5413
Echinococcus multilocularis	lysyl tRNA synthetase	0.0048	0.0358	0.1612
Onchocerca volvulus		0.003	0.016	0.5
Brugia malayi	Sugar transporter family protein	0.003	0.016	0.072
Trypanosoma brucei	sugar transporter, putative	0.003	0.016	0.2418
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0066	0.0557	0.0557
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0066	0.0557	0.2324
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.016	0.072
Trypanosoma cruzi	hexose transporter, putative	0.0066	0.0566	0.8565
Brugia malayi	hypothetical protein	0.0043	0.0309	0.1392
Entamoeba histolytica	hypothetical protein	0.0048	0.0358	0.1969
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0066	0.0557	0.2508
Onchocerca volvulus		0.003	0.016	0.5
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0066	0.0557	0.2508
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.016	0.072
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0407	0.1633
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0441	0.1987
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0064	0.0542	0.2441
Chlamydia trachomatis	proline--tRNA ligase	0.0023	0.0077	0.2147
Loa Loa (eye worm)	hypothetical protein	0.003	0.016	0.0492
Echinococcus multilocularis	solute carrier family 22	0.003	0.016	0.072
Plasmodium falciparum	lysine--tRNA ligase	0.0048	0.0358	0.0358
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0779	0.3348
Leishmania major	hypothetical protein, conserved	0.0018	0.003	0.0448
Entamoeba histolytica	protein kinase, putative	0.0066	0.0557	1
Plasmodium falciparum	protein kinase 7	0.0605	0.6598	0.6598
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0128	0.0574
Trypanosoma brucei	ISWI complex protein	0.0018	0.003	0.0448
Trichomonas vaginalis	glucose transporter, putative	0.0066	0.0566	0.2551
Schistosoma mansoni	sugar transporter	0.003	0.016	0.072
Leishmania major	trypanothione reductase	0.0046	0.0334	0.5054
Loa Loa (eye worm)	hypothetical protein	0.003	0.016	0.0492
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0542	0.2255
Trichomonas vaginalis	sugar transport protein, putative	0.003	0.016	0.072
Echinococcus granulosus	lysyl tRNA synthetase	0.0048	0.0358	0.1612
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0441	0.1987
Onchocerca volvulus		0.003	0.016	0.5
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Loa Loa (eye worm)	hypothetical protein	0.003	0.016	0.0492
Plasmodium falciparum	hexose transporter	0.0214	0.2221	0.2221
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0048	0.0358	0.0958
Loa Loa (eye worm)	hypothetical protein	0.003	0.016	0.0492
Echinococcus granulosus	solute carrier family 22	0.003	0.016	0.072
Leishmania major	glucose transporter, lmgt2	0.0066	0.0566	0.8565
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0346	0.3698	0.5604
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0066	0.0557	0.2508
Toxoplasma gondii	sugar transporter ST2	0.003	0.016	0.0242
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.112	1
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0041	0.0277	0.2477
Toxoplasma gondii	facilitative glucose transporter GT1	0.0214	0.2221	0.3366
Echinococcus granulosus	General substrate transporter	0.0184	0.1883	0.8482
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0358	0.1406
Schistosoma mansoni	hypothetical protein	0.0025	0.0102	0.0458
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0334	0.0507
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0053	0.024
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0064	0.0542	0.3144
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0441	0.1987
Brugia malayi	Bromodomain containing protein	0.0091	0.0837	0.3768
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0441	0.1987
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0066	0.0557	0.0845
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0104	0.0989	0.8454
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0334	0.1296
Toxoplasma gondii	sugar transporter ST3	0.003	0.016	0.0242
Plasmodium falciparum	glutathione reductase	0.0046	0.0334	0.0334
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.016	0.072
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0104	0.0989	0.8837
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Leishmania major	glucose transporter, lmgt1	0.0066	0.0566	0.8565
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0334	0.0334
Schistosoma mansoni	protein kinase	0.0066	0.0557	0.2508
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.016	0.072
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0374	0.1477
Loa Loa (eye worm)	hypothetical protein	0.003	0.016	0.0492
Schistosoma mansoni	bromodomain containing protein	0.0076	0.0678	0.3055
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0066	0.0557	0.2508
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.063	0.2837
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0346	0.3698	0.3698
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0021	0.0053	0.024
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0048	0.0358	0.1612
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0214	0.2221	1
Giardia lamblia	Sugar-proton symporter	0.003	0.016	0.295
Schistosoma mansoni	serine/threonine protein kinase	0.0066	0.0557	0.2508
Onchocerca volvulus		0.003	0.016	0.5
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0021	0.0053	0.024
Schistosoma mansoni	glucose transporter	0.003	0.016	0.072
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Schistosoma mansoni	hypothetical protein	0.0018	0.003	0.0133
Onchocerca volvulus		0.003	0.016	0.5
Onchocerca volvulus		0.003	0.016	0.5
Brugia malayi	hypothetical protein	0.003	0.016	0.072
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0334	0.1296
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0341	0.1536
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0346	0.3698	0.3698
Onchocerca volvulus		0.003	0.016	0.5
Chlamydia trachomatis	lysine--tRNA ligase	0.0048	0.0358	1
Trypanosoma brucei	glucose transporter 1E	0.0066	0.0566	0.8565
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0334	0.0334
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0066	0.0557	0.0557
Echinococcus multilocularis	synaptic vesicle 2 protein	0.003	0.016	0.072
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0066	0.0566	0.8565
Trypanosoma cruzi	hexose transporter, putative	0.0066	0.0566	0.8565
Schistosoma mansoni	sugar transporter	0.003	0.016	0.072
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0128	0.0574
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0214	0.2221	1
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0026	0.0118	0.0299
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0309	0.1392
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.003	0.016	0.072
Trypanosoma cruzi	sugar transporter, putative	0.003	0.016	0.2418
Plasmodium vivax	hexose transporter	0.0214	0.2221	0.2221
Brugia malayi	major facilitator superfamily protein	0.003	0.016	0.072
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0909	1	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.0334	0.2985
Onchocerca volvulus	Putative transporter	0.003	0.016	0.5
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.112	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.016	0.0492
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0066	0.0557	0.0557
Echinococcus multilocularis	General substrate transporter	0.0184	0.1883	0.8482
Loa Loa (eye worm)	hypothetical protein	0.003	0.016	0.0492
Schistosoma mansoni	glucose transport protein	0.0214	0.2221	1
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.003	0.016	0.2418
Loa Loa (eye worm)	hypothetical protein	0.003	0.016	0.0492
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Leishmania major	myo-inositol/proton symporter (MIT)	0.003	0.016	0.2418
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0441	0.1987
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0066	0.0557	0.8422
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0066	0.0557	0.0557
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Brugia malayi	Bromodomain containing protein	0.0046	0.0341	0.1534
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0075	0.0661	1
Brugia malayi	hypothetical protein	0.003	0.016	0.072
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Trichomonas vaginalis	conserved hypothetical protein	0.0066	0.0566	0.2551
Brugia malayi	hypothetical protein	0.003	0.016	0.072
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0048	0.0358	1
Echinococcus multilocularis	solute carrier family 22	0.003	0.016	0.072
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0064	0.0542	0.2441
Loa Loa (eye worm)	hypothetical protein	0.003	0.016	0.0492
Echinococcus multilocularis	zinc finger protein	0.0024	0.0087	0.0394
Brugia malayi	lysyl-tRNA synthetase	0.0048	0.0358	0.1612
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Giardia lamblia	Prolyl-tRNA synthetase	0.0064	0.0542	1
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0066	0.0557	0.2324
Trypanosoma brucei	glucose transporter, putative	0.0066	0.0566	0.8565
Echinococcus multilocularis	calcium dependent protein kinase	0.0062	0.0512	0.2304
Trypanosoma brucei	trypanothione reductase	0.0046	0.0334	0.5054
Brugia malayi	Sugar transporter family protein	0.003	0.016	0.072
Onchocerca volvulus		0.003	0.016	0.5
Onchocerca volvulus		0.003	0.016	0.5
Trypanosoma cruzi	hexose transporter, putative	0.0066	0.0566	0.8565
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0066	0.0557	0.2508
Leishmania major	protein kinase, putative	0.0066	0.0557	0.8422
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0066	0.0557	0.2508
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0309	0.139
Trypanosoma cruzi	hexose transporter, putative	0.003	0.016	0.2418
Echinococcus granulosus	Sugar transporter ERD6 protein	0.003	0.016	0.072
Trypanosoma cruzi	hexose transporter, putative	0.0036	0.0229	0.3467
Brugia malayi	glutathione reductase	0.0046	0.0334	0.1505
Entamoeba histolytica	protein kinase, putative	0.0066	0.0557	1
Brugia malayi	major facilitator superfamily protein	0.003	0.016	0.072
Leishmania major	glucose transporter, lmgt3	0.0066	0.0566	0.8565
Trichomonas vaginalis	sugar transporter, putative	0.003	0.016	0.072
Onchocerca volvulus		0.003	0.016	0.5
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.112	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0399	0.1597
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.112	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.122 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	= 8.9125 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	9.2 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1384810
Search by Saint Jude

Bibliographic References

No literature references available for this target.

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Detailed information for compound 763753