TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 399.42 | Formula: C19H17N3O5S
H donors: 2 H acceptors: 4 LogP: 2.87 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(/C=N/N=C/2\SC(C(=O)N2c2ccccc2)CC(=O)O)ccc1O
InChi: 1S/C19H17N3O5S/c1-27-15-9-12(7-8-14(15)23)11-20-21-19-22(13-5-3-2-4-6-13)18(26)16(28-19)10-17(24)25/h2-9,11,16,23H,10H2,1H3,(H,24,25)/b20-11+,21-19-
InChiKey: HEJKCHSWUQRZRU-YOPNLDQXSA-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

No curated genes were found associated with this compound

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
Echinococcus granulosus	death domain containing protein	0.0015	0.0128	0.0053
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0019	0.0258	0.2085
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1089	0.1021
Trypanosoma brucei	transcription factor BTF3, putative	0.0036	0.076	0.6141
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0775	0.1043
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0775	0.1043
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0046	0.1054	0.1614
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0023	0.0385	0.0312
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0023	0.0385	0.0312
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0623	0.0501
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.1532	0.5
Echinococcus granulosus	netrin receptor unc 5	0.0015	0.0128	0.0053
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0662	0.0591
Toxoplasma gondii	peptidylprolyl isomerase	0.0034	0.0681	0.4442
Schistosoma mansoni	aryl hydrocarbon receptor	0.005	0.1166	0.1052
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0112	0.2995	0.2942
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0046	0.1054	0.8524
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0037	0.0777	0.6279
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0705	0.0941
Leishmania major	protein kinase, putative	0.0013	0.0075	0.0492
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0662	0.0591
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.003	0.0571	0.0725
Toxoplasma gondii	NAC domain-containing protein	0.0036	0.076	0.4957
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.1532	0.1423
Onchocerca volvulus		0.0056	0.1333	0.183
Loa Loa (eye worm)	hypothetical protein	0.0104	0.2758	0.3924
Entamoeba histolytica	transcription factor BTF3, putative	0.0036	0.076	0.0341
Schistosoma mansoni	hypothetical protein	0.0033	0.0662	0.0541
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.1237	1
Leishmania major	protein kinase, putative	0.0013	0.0075	0.0492
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0104	0.2758	0.3924
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0149	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0623	0.0801
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.057	0.0498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0705	0.0941
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0149	0.0133
Onchocerca volvulus		0.0246	0.6946	1
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0704	0.094
Schistosoma mansoni	hypothetical protein	0.005	0.1165	0.105
Entamoeba histolytica	hypothetical protein	0.0036	0.076	0.0341
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.1532	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0705	0.0941
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1237	0.1699
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.076	0.1019
Onchocerca volvulus		0.003	0.0569	0.0718
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0216	0.6064	0.8762
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0034	0.0704	0.085
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.1532	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0662	0.0859
Trypanosoma brucei	PAB1-binding protein , putative	0.0052	0.1237	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0506	0.0651
Echinococcus multilocularis	musashi	0.0056	0.1333	0.1267
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0046	0.1054	0.6879
Trypanosoma cruzi	transcription factor btf3, putative	0.0036	0.076	0.6141
Trypanosoma cruzi	transcription factor btf3, putative	0.0036	0.076	0.6141
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.1089	0.1482
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.1532	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1333	0.1839
Echinococcus granulosus	lamin dm0	0.0056	0.1333	0.1267
Entamoeba histolytica	hypothetical protein	0.0112	0.2995	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0034	0.0705	0.4602
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0576	0.0753
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0013	0.0075	0.0609
Loa Loa (eye worm)	phosphatidylinositol 3	0.0015	0.0149	0.0108
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0075	0.0026
Schistosoma mansoni	hypothetical protein	0.0033	0.0662	0.0541
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0046	0.1054	0.0986
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0046	0.1054	0.1447
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0506	0.0651
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0037	0.0777	0.5068
Echinococcus multilocularis	geminin	0.035	1	1
Leishmania major	basic transcription factor 3a, putative	0.0036	0.076	0.4957
Brugia malayi	intermediate filament protein	0.0056	0.1333	0.1776
Plasmodium vivax	basic transcription factor 3b, putative	0.0036	0.076	0.2229
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0013	0.0075	0.0026
Brugia malayi	hypoxia-induced factor 1	0.0155	0.4255	0.6085
Echinococcus multilocularis	survival motor neuron protein 1	0.0245	0.6911	0.6887
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1089	0.1021
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0046	0.1054	0.0938
Echinococcus multilocularis	lamin dm0	0.0056	0.1333	0.1267
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0454	0.0554
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0498	0.064
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0428	0.0537
Schistosoma mansoni	rotamase	0.0034	0.0704	0.0584
Schistosoma mansoni	hypothetical protein	0.0107	0.2838	0.2746
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0027	0.0484	0.0412
Brugia malayi	hypothetical protein	0.0168	0.4638	0.665
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0623	0.0501
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0013	0.0075	0.0026
Schistosoma mansoni	transcription factor LCR-F1	0.0112	0.2995	0.2904
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0046	0.1054	0.1614
Brugia malayi	Cytochrome P450 family protein	0.0046	0.1063	0.1379
Schistosoma mansoni	hypothetical protein	0.035	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0046	0.1054	0.1447
Trichomonas vaginalis	rotamase, putative	0.0034	0.0704	0.094
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0428	0.0537
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0149	0.0133
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.076	0.1019
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0426	0.0536
Echinococcus multilocularis	Ankyrin	0.0015	0.0132	0.0057
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0662	0.0859
Echinococcus granulosus	intermediate filament protein	0.0056	0.1333	0.1267
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0034	0.0681	0.5503
Echinococcus multilocularis	transfer RNA-Lys	0.0037	0.0783	0.0713
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0855	0.1158
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0034	0.0681	0.4442
Echinococcus multilocularis	transcription factor btf3	0.0036	0.076	0.0689
Schistosoma mansoni	cpg binding protein	0.0031	0.0619	0.0497
Trypanosoma cruzi	target of rapamycin kinase 3	0.0037	0.0777	0.6279
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0428	0.0537
Schistosoma mansoni	cpg binding protein	0.0031	0.0619	0.0497
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.1237	1
Entamoeba histolytica	hypothetical protein	0.0112	0.2995	1
Brugia malayi	Pre-SET motif family protein	0.0216	0.6064	0.8752
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0015	0.0149	0.0021
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0013	0.0075	0.0609
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0426	0.0536
Schistosoma mansoni	hypothetical protein	0.0033	0.0662	0.0541
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0775	0.1043
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0484	0.0598
Onchocerca volvulus		0.0032	0.0623	0.0797
Trichomonas vaginalis	set domain proteins, putative	0.0246	0.6942	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.1387	0.9049
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0013	0.0075	0.0609
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0015	0.0149	0.0074
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1089	0.0973
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0149	0.0133
Schistosoma mansoni	ankyrin 23/unc44	0.0015	0.0128	0.000000064252
Echinococcus multilocularis	expressed protein	0.0034	0.0704	0.0634
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.0623	0.4063
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0075	0.0026
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0506	0.0651
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0015	0.0149	0.1204
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0076	0.1924	0.1863
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0705	0.0941
Loa Loa (eye worm)	phosphatidylinositol 3	0.0046	0.1054	0.1432
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0013	0.0075	0.0492
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0426	0.0536
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0705	0.0941
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0013	0.0075	0.0609
Loa Loa (eye worm)	hypothetical protein	0.0245	0.6911	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0034	0.0681	0.5503
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0013	0.0075	0.0609
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0015	0.0128	0.0053
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0015	0.0149	0.0074
Giardia lamblia	GTOR	0.0046	0.1054	0.5
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0034	0.0681	0.5503
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.1532	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0454	0.0554
Brugia malayi	bHLH-PAS transcription factor	0.0037	0.0783	0.0966
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.1532	0.1468
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1089	0.0973
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0662	0.0788
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0015	0.0149	0.0972
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0013	0.0075	0.5
Echinococcus multilocularis	lamin	0.0056	0.1333	0.1267
Brugia malayi	Pre-SET motif family protein	0.0032	0.0623	0.0729
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0015	0.0149	0.1204
Entamoeba histolytica	hypothetical protein	0.0112	0.2995	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0071	0.1788	0.2447
Echinococcus granulosus	survival motor neuron protein 1	0.0245	0.6911	0.6887
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1089	0.0973
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0132	0.0082
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0076	0.1924	0.1863
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0428	0.0537
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0046	0.1054	0.1366
Toxoplasma gondii	LsmAD domain-containing protein	0.0052	0.1237	0.8071
Brugia malayi	hypothetical protein	0.0245	0.6911	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0606	0.0796
Echinococcus granulosus	expressed protein	0.0034	0.0704	0.0634
Onchocerca volvulus		0.005	0.1165	0.1585
Schistosoma mansoni	hypothetical protein	0.0071	0.1788	0.1681
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0662	0.0591
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.1237	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0112	0.2995	0.2942
Echinococcus granulosus	cpg binding protein	0.0031	0.0619	0.0548
Leishmania major	hypothetical protein, conserved	0.0052	0.1237	0.8071
Schistosoma mansoni	lamin	0.0056	0.1333	0.122
Brugia malayi	Death domain containing protein	0.0015	0.0128	0.000000093517
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0662	0.0788
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0046	0.1054	0.8524
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0128	0.0077
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.1532	0.1423
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0046	0.1054	0.0986
Brugia malayi	hypothetical protein	0.0034	0.0689	0.0828
Mycobacterium leprae	Possible regulatory protein	0.0013	0.0075	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1089	0.1021
Plasmodium vivax	ataxin-2 like protein, putative	0.0052	0.1237	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0104	0.2758	0.3877
Echinococcus granulosus	Ankyrin	0.0015	0.0132	0.0057
Echinococcus granulosus	transcription factor btf3	0.0036	0.076	0.0689
Loa Loa (eye worm)	cytochrome P450 family protein	0.0046	0.1063	0.1445
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0623	0.0551
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1303	0.1796
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0013	0.0075	0.0609
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0046	0.1054	0.6879
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0623	0.0501
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0022	0.0336	0.2719
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0013	0.0075	0.0026
Brugia malayi	Intermediate filament tail domain containing protein	0.0056	0.1333	0.1776
Trichomonas vaginalis	guanylate cyclase, putative	0.0013	0.0075	0.0026
Echinococcus granulosus	single minded 2	0.0037	0.0783	0.0713
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0705	0.0941
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0155	0.4255	0.6115
Schistosoma mansoni	hypothetical protein	0.035	1	1
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0013	0.0075	0.0026
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0015	0.0149	0.1204
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0775	0.1043
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0075	0.0026
Loa Loa (eye worm)	intermediate filament protein	0.0056	0.1333	0.1839
Brugia malayi	beta-NAC-like protein	0.0036	0.076	0.0931
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0149	0.0133
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1089	0.1021
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0662	0.0591
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0569	0.0722
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0015	0.0149	0.0972
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.1532	1
Schistosoma mansoni	hypothetical protein	0.0112	0.2995	0.2904
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0015	0.0128	0.0077
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0034	0.0704	0.092
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0498	0.064
Schistosoma mansoni	transcription factor btf3	0.0036	0.076	0.064
Brugia malayi	CXXC zinc finger family protein	0.003	0.0569	0.065
Echinococcus granulosus	GPCR family 2	0.0033	0.0662	0.0591
Echinococcus granulosus	lamin	0.0056	0.1333	0.1267
Schistosoma mansoni	hypothetical protein	0.0023	0.0385	0.026
Brugia malayi	Uncoordinated protein 44	0.0015	0.0128	0.000000093517
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0104	0.2758	0.3877
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0046	0.1054	0.8524
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0027	0.0484	0.0412
Echinococcus multilocularis	cpg binding protein	0.0031	0.0619	0.0548
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.1532	0.1468
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0705	0.0941
Wolbachia endosymbiont of Brugia malayi	parvulin-like peptidyl-prolyl isomerase, PPID	0.001	0	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.1089	0.1416
Trichomonas vaginalis	rotamase, putative	0.0034	0.0681	0.0905
Onchocerca volvulus	Netrin receptor homolog	0.0015	0.0128	0.0076
Schistosoma mansoni	cpg binding protein	0.003	0.0569	0.0447
Onchocerca volvulus		0.0056	0.1333	0.183
Brugia malayi	Protein kinase domain containing protein	0.0015	0.0128	0.000000093517
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0662	0.0591
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.0623	0.0551
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0046	0.1054	0.8524
Brugia malayi	hypothetical protein	0.0112	0.2995	0.4227
Brugia malayi	cytoplasmic intermediate filament protein	0.003	0.0571	0.0653
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0623	0.0501
Entamoeba histolytica	hypothetical protein	0.0112	0.2995	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.005	0.1165	0.1528
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.076	0.1019
Schistosoma mansoni	single-minded	0.005	0.1166	0.1052
Schistosoma mansoni	survival motor neuron protein	0.005	0.1165	0.105
Trichomonas vaginalis	adenylate cyclase, putative	0.0013	0.0075	0.0026
Schistosoma mansoni	intermediate filament proteins	0.0056	0.1333	0.122
Brugia malayi	hypothetical protein	0.0052	0.1237	0.1635
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1788	0.2505
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.1237	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0046	0.1054	0.1447
Trichomonas vaginalis	guanylate cyclase, putative	0.0013	0.0075	0.0026
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0015	0.0149	0.1204
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0015	0.0128	0.0053
Trichomonas vaginalis	adenylate cyclase, type VII, putative	0.0013	0.0075	0.0026
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0015	0.0132	0.0004
Onchocerca volvulus		0.0037	0.0783	0.103
Echinococcus multilocularis	netrin receptor unc 5	0.0015	0.0128	0.0053
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0775	0.1043
Schistosoma mansoni	lamin	0.0056	0.1333	0.122
Loa Loa (eye worm)	hypothetical protein	0.0168	0.4638	0.6675
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0056	0.1333	0.1839
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0064	0.1585	0.1476
Schistosoma mansoni	hypothetical protein	0.0033	0.0662	0.0541
Brugia malayi	PAS domain containing protein	0.005	0.1166	0.1531
Loa Loa (eye worm)	ICD-1 protein	0.0036	0.076	0.1001
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0015	0.0149	0.0031
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0623	0.0551

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 0 %	Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 8 mM assessed as infected cells	ChEMBL.	17905587
Activity (functional)	= 0 %	Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 20 mM assessed as infected cells	ChEMBL.	17905587
Activity (functional)	= 0 %	Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 8 mM assessed as infected cells	ChEMBL.	17905587
Activity (functional)	= 0 %	Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 20 mM assessed as infected cells	ChEMBL.	17905587
Activity (functional)	= 3.5 %	Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 5 mM assessed as infected cells	ChEMBL.	17905587
Activity (functional)	= 3.5 %	Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 5 mM assessed as infected cells	ChEMBL.	17905587
Activity (functional)	= 41.96 %	Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 2 mM assessed as infected cells	ChEMBL.	17905587
Activity (functional)	= 41.96 %	Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 2 mM assessed as infected cells	ChEMBL.	17905587
Activity (functional)	= 46.02 %	Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 0.1 mM assessed as infected cells	ChEMBL.	17905587
Activity (functional)	= 46.02 %	Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 0.1 mM assessed as infected cells	ChEMBL.	17905587
IC50 (ADMET)	= 0.1 mM	Inhibition of uninfected african green monkey Vero cells	ChEMBL.	17905587
IC50 (functional)	= 1 mM	Inhibition of intracellular parasite Toxoplasma gondii	ChEMBL.	17905587
IC50 (functional)	= 1 mM	Inhibition of intracellular parasite Toxoplasma gondii	ChEMBL.	17905587
IC50 (functional)	= 3 mM	Inhibition of Toxoplasma gondii infected in african green monkey Vero cells	ChEMBL.	17905587
IC50 (functional)	= 3 mM	Inhibition of Toxoplasma gondii infected in african green monkey Vero cells	ChEMBL.	17905587
IZ (functional)	< 7 mm	Antimicrobial activity against Staphylococcus aureus at 300 ug/disc	ChEMBL.	17905587
IZ (functional)	< 7 mm	Antimicrobial activity against Bacillus subtilis at 300 ug/disc	ChEMBL.	17905587
IZ (functional)	< 7 mm	Antimicrobial activity against Micrococcus luteus at 300 ug/disc	ChEMBL.	17905587
IZ (functional)	< 7 mm	Antimicrobial activity against Escherichia coli at 300 ug/disc	ChEMBL.	17905587
IZ (functional)	< 7 mm	Antimicrobial activity against Klebsiella pneumoniae at 300 ug/disc	ChEMBL.	17905587
IZ (functional)	< 7 mm	Antimicrobial activity against Streptococcus faecalis at 300 ug/disc	ChEMBL.	17905587
IZ (functional)	< 7 mm	Antimicrobial activity against Mycobacterium phlei at 300 ug/disc	ChEMBL.	17905587
IZ (functional)	< 7 mm	Antimicrobial activity against Mycobacterium smegmatis at 300 ug/disc	ChEMBL.	17905587
IZ (functional)	< 7 mm	Antimicrobial activity against Mycobacterium tuberculosis at 300 ug/disc	ChEMBL.	17905587
IZ (functional)	< 7 mm	Antimicrobial activity against Saccharomyces cerevisiae at 300 ug/disc	ChEMBL.	17905587
IZ (functional)	< 7 mm	Antimicrobial activity against Candida sp. IMUR1224 at 300 ug/disc	ChEMBL.	17905587
IZ (functional)	< 7 mm	Antimicrobial activity against Candida sp. IMUR720 at 300 ug/disc	ChEMBL.	17905587
IZ (functional)	< 7 mm	Antimicrobial activity against Candida albicans at 300 ug/disc	ChEMBL.	17905587
IZ (functional)	< 7 mm	Antimicrobial activity against Escherichia coli at 300 ug/disc	ChEMBL.	17905587
IZ (functional)	< 7 mm	Antimicrobial activity against Mycobacterium tuberculosis at 300 ug/disc	ChEMBL.	17905587
IZ (functional)	< 7 mm	Antimicrobial activity against Saccharomyces cerevisiae at 300 ug/disc	ChEMBL.	17905587
IZ (functional)	< 7 mm	Antimicrobial activity against Candida albicans at 300 ug/disc	ChEMBL.	17905587

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL253106

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 505953