TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 820.065 | Formula: C47H69N3O9
H donors: 1 H acceptors: 4 LogP: 11.12 Rotable bonds: 31
Rule of 5 violations (Lipinski): 2
SMILES: CO[C@@H](C[C@@H](C[C@@H]1CC=CC(=O)O1)O)CCn1nnc(c1)CCCCCCCCCCCCCCCOc1cc(/C=C\c2cc(OC)c(c(c2)OC)OC)ccc1OC
InChi: 1S/C47H69N3O9/c1-53-40(33-39(51)34-41-21-19-22-46(52)59-41)27-28-50-35-38(48-49-50)20-17-15-13-11-9-7-6-8-10-12-14-16-18-29-58-43-30-36(25-26-42(43)54-2)23-24-37-31-44(55-3)47(57-5)45(32-37)56-4/h19,22-26,30-32,35,39-41,51H,6-18,20-21,27-29,33-34H2,1-5H3/b24-23-/t39-,40+,41-/m0/s1
InChiKey: MHKIOCQIKNSHOT-WPAXDFGFSA-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
Brugia malayi	Trypsin family protein	0.0071	0.0501	0.0501
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0089	0.0685	0.1829
Schistosoma mansoni	hypothetical protein	0.0147	0.1285	0.3435
Entamoeba histolytica	pyruvate kinase, putative	0.0023	0.001	0.0172
Echinococcus multilocularis	neurogenic locus protein delta	0.0147	0.1285	0.1613
Schistosoma mansoni	cercarial elastase (S01 family)	0.0071	0.0501	0.1338
Schistosoma mansoni	serine/threonine protein kinase	0.0168	0.1499	0.4006
Echinococcus multilocularis	protein kinase c iota type	0.0029	0.0071	0.0089
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0139	1
Schistosoma mansoni	hypothetical protein	0.0147	0.1285	0.3435
Echinococcus granulosus	protein jagged 2	0.0147	0.1285	0.3435
Echinococcus granulosus	protein kinase C gamma type	0.0024	0.0015	0.004
Schistosoma mansoni	serine/threonine protein kinase	0.0108	0.0887	0.2371
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.0022	0.0057
Echinococcus multilocularis	fibrillin 1	0.0385	0.3742	0.4696
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0139	1
Mycobacterium ulcerans	putative regulatory protein	0.0075	0.0547	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0132	0.1133	0.3027
Onchocerca volvulus		0.0071	0.0501	0.1338
Echinococcus multilocularis	neurogenic locus notch protein	0.0147	0.1285	0.1613
Brugia malayi	Trypsin family protein	0.0071	0.0501	0.0501
Echinococcus granulosus	geminin	0.033	0.3178	0.8491
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0139	0.0372
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0062	0.041	0.041
Echinococcus granulosus	acetylcholinesterase	0.0132	0.1133	0.3027
Trichomonas vaginalis	AGC family protein kinase	0.0022	0	0.002
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0385	0.3742	0.3742
Schistosoma mansoni	slit	0.0147	0.1285	0.3435
Schistosoma mansoni	cercarial elastase (S01 family)	0.0071	0.0501	0.1338
Onchocerca volvulus		0.0075	0.0547	0.146
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.0026	0.0042	0.0053
Echinococcus multilocularis	enteropeptidase	0.0071	0.0501	0.0628
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0196	0.1794	0.1794
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Leishmania major	protein kinase, putative	0.0028	0.0054	0.2769
Echinococcus multilocularis	serine:threonine protein kinase N2	0.01	0.0803	0.1007
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0062	0.041	0.0515
Echinococcus granulosus	protein kinase c epsilon type	0.0108	0.0887	0.2371
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0115	0.792
Trichomonas vaginalis	guanylate cyclase, putative	0.0026	0.0042	0.3055
Echinococcus multilocularis	slit 2 protein	0.0147	0.1285	0.1613
Echinococcus granulosus	protein jagged 1	0.0147	0.1285	0.3435
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0115	0.8246
Trichomonas vaginalis	AGC family protein kinase	0.0022	0	0.002
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0385	0.3742	0.3742
Trypanosoma brucei	pyruvate kinase 1, putative	0.0033	0.0115	0.8242
Onchocerca volvulus	Arrow homolog	0.0385	0.3742	1
Echinococcus multilocularis	transmembrane protease serine 3	0.0071	0.0501	0.0628
Echinococcus granulosus	transmembrane protease serine 3	0.0071	0.0501	0.1338
Schistosoma mansoni	hypothetical protein	0.0147	0.1285	0.3435
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0071	0.0501	0.1338
Echinococcus multilocularis	pyruvate kinase	0.0026	0.0042	0.0053
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0115	0.0115
Brugia malayi	Inositol-1	0.0036	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Schistosoma mansoni	hypothetical protein	0.0071	0.0501	0.1338
Echinococcus granulosus	serine:threonine protein kinase N2	0.0079	0.0584	0.156
Brugia malayi	Calcium binding EGF domain containing protein	0.0147	0.1285	0.1285
Schistosoma mansoni	atypical protein kinase C	0.0029	0.0071	0.0189
Brugia malayi	notch-like transmembrane receptor	0.0147	0.1285	0.1285
Loa Loa (eye worm)	hypothetical protein	0.0385	0.3742	0.3742
Trichomonas vaginalis	AGC family protein kinase	0.0022	0	0.002
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0042	0.3055
Echinococcus granulosus	ras gtpase	0.0157	0.139	0.3715
Echinococcus granulosus	delta-like protein 1	0.0147	0.1285	0.3435
Loa Loa (eye worm)	carboxylesterase	0.0132	0.1133	0.1133
Echinococcus granulosus	neurogenic locus protein delta	0.0147	0.1285	0.3435
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0033	0.0115	0.0115
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0071	0.0501	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0385	0.3742	0.3742
Loa Loa (eye worm)	GTP-binding protein	0.0157	0.139	0.139
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0115	0.0306
Brugia malayi	EGF-like domain containing protein	0.0147	0.1285	0.1285
Brugia malayi	EGF-like domain containing protein	0.0147	0.1285	0.1285
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0071	0.0501	0.1338
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0089	0.0685	0.1829
Echinococcus granulosus	pyruvate kinase	0.0033	0.0115	0.0306
Brugia malayi	EGF-like domain containing protein	0.0147	0.1285	0.1285
Toxoplasma gondii	pyruvate kinase PyK1	0.0033	0.0115	0.0306
Echinococcus granulosus	notch	0.0147	0.1285	0.3435
Schistosoma mansoni	hypothetical protein	0.0147	0.1285	0.3435
Schistosoma mansoni	laminin gamma-3 chain	0.0147	0.1285	0.3435
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0032	0.01	0.8752
Echinococcus multilocularis	neural cadherin	0.0147	0.1285	0.1613
Brugia malayi	hypothetical protein	0.0024	0.0022	0.0022
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0062	0.041	0.1096
Brugia malayi	latrophilin 2 splice variant baaae	0.0134	0.1154	0.1154
Loa Loa (eye worm)	hypothetical protein	0.0385	0.3742	0.3742
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0501	0.0501
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Echinococcus granulosus	protein kinase c iota type	0.0029	0.0071	0.0189
Trichomonas vaginalis	AGC family protein kinase	0.0022	0	0.002
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0042	0.3055
Trichomonas vaginalis	AGC family protein kinase	0.0022	0	0.002
Trichomonas vaginalis	adenylate cyclase, type VII, putative	0.0026	0.0042	0.3055
Echinococcus granulosus	neurogenic locus notch protein	0.0147	0.1285	0.3435
Brugia malayi	Fibulin-1 precursor	0.0385	0.3742	0.3742
Echinococcus granulosus	enteropeptidase	0.0071	0.0501	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0115	0.0115
Onchocerca volvulus		0.0071	0.0501	0.1338
Echinococcus granulosus	GPCR family 2	0.0062	0.041	0.1096
Echinococcus granulosus	protein jagged 1	0.0147	0.1285	0.3435
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0042	0.3055
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0062	0.041	0.0515
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0089	0.0685	0.0859
Echinococcus granulosus	Tolloid protein 1	0.0385	0.3742	1
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0026	0.0042	0.3055
Echinococcus multilocularis	rho associated protein kinase	0.0319	0.3066	0.3847
Onchocerca volvulus		0.0318	0.3054	0.8161
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0115	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0501	0.0501
Schistosoma mansoni	aryl hydrocarbon receptor	0.0102	0.0819	0.2189
Schistosoma mansoni	notch	0.0147	0.1285	0.3435
Brugia malayi	Trypsin-like protease protein 5	0.0071	0.0501	0.0501
Loa Loa (eye worm)	notch protein	0.0147	0.1285	0.1285
Schistosoma mansoni	cercarial elastase (S01 family)	0.0071	0.0501	0.1338
Schistosoma mansoni	notch	0.0147	0.1285	0.3435
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0085	0.0228
Onchocerca volvulus		0.0071	0.0501	0.1338
Schistosoma mansoni	serine/threonine kinase	0.0022	0	0.0001
Toxoplasma gondii	EGF family domain-containing protein	0.0147	0.1285	0.3434
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Mycobacterium ulcerans	pyruvate kinase	0.0033	0.0115	0.2098
Schistosoma mansoni	hypothetical protein	0.0062	0.041	0.1096
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0026	0.0042	0.3055
Plasmodium falciparum	pyruvate kinase	0.0033	0.0115	1
Trichomonas vaginalis	adenylate cyclase, putative	0.0026	0.0042	0.3055
Brugia malayi	Trypsin family protein	0.0071	0.0501	0.0501
Loa Loa (eye worm)	acetylcholinesterase 1	0.0132	0.1133	0.1133
Echinococcus granulosus	glycoprotein Antigen 5	0.0071	0.0501	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0501	0.0501
Onchocerca volvulus		0.0147	0.1285	0.3435
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Schistosoma mansoni	hypothetical protein	0.033	0.3178	0.8491
Schistosoma mansoni	hypothetical protein	0.0062	0.041	0.1096
Onchocerca volvulus	Slit protein homolog	0.0147	0.1285	0.3435
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0033	0.0115	1
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0139	0.0372
Schistosoma mansoni	hypothetical protein	0.0062	0.041	0.1096
Schistosoma mansoni	notch	0.0147	0.1285	0.3435
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Echinococcus granulosus	Mastin	0.0071	0.0501	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0132	0.1133	0.1133
Brugia malayi	Calcium binding EGF domain containing protein	0.0147	0.1285	0.1285
Echinococcus multilocularis	protein jagged 1	0.0147	0.1285	0.1613
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0196	0.1794	0.1794
Echinococcus granulosus	acetylcholinesterase	0.0132	0.1133	0.3027
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0031	0.0085	0.0107
Schistosoma mansoni	serine/threonine protein kinase	0.0319	0.3066	0.8193
Loa Loa (eye worm)	inositol-1	0.0036	0.0139	0.0139
Onchocerca volvulus		0.0147	0.1285	0.3435
Schistosoma mansoni	single-minded	0.0102	0.0819	0.2189
Trichomonas vaginalis	AGC family protein kinase	0.0022	0	0.002
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0085	0.0228
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0115	0.0115
Brugia malayi	Carboxylesterase family protein	0.0132	0.1133	0.1133
Onchocerca volvulus		0.0071	0.0501	0.1338
Onchocerca volvulus		0.0147	0.1285	0.3435
Schistosoma mansoni	cell polarity protein	0.0157	0.139	0.3715
Schistosoma mansoni	notch	0.0147	0.1285	0.3435
Brugia malayi	hypothetical protein	0.0071	0.0501	0.0501
Brugia malayi	GTP-binding protein, identical	0.0157	0.139	0.139
Loa Loa (eye worm)	hypothetical protein	0.0062	0.041	0.041
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0042	0.0042
Echinococcus granulosus	protein jagged 2	0.0147	0.1285	0.3435
Brugia malayi	Delta serrate ligand family protein	0.0147	0.1285	0.1285
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0115	0.792
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0139	1
Echinococcus multilocularis	protein kinase c epsilon type	0.0108	0.0887	0.1114
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.0139	0.2545
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0501	0.0501
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0028	0.0054	0.2769
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0071	0.0501	0.1338
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0385	0.3742	1
Mycobacterium ulcerans	hypothetical protein	0.0071	0.0501	0.9159
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0026	0.0042	0.0042
Schistosoma mansoni	cell polarity protein	0.0157	0.139	0.3715
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0026	0.0042	0.1765
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0385	0.3742	1
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0071	0.0501	0.1338
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0139	0.2379
Brugia malayi	Trypsin family protein	0.0071	0.0501	0.0501
Schistosoma mansoni	cercarial elastase (S01 family)	0.0071	0.0501	0.1338
Schistosoma mansoni	cercarial elastase (S01 family)	0.0071	0.0501	0.1338
Echinococcus multilocularis	Mastin	0.0071	0.0501	0.0628
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0022	0	0.0001
Echinococcus granulosus	slit 2 protein	0.0147	0.1285	0.3435
Echinococcus granulosus	neural cadherin	0.0147	0.1285	0.3435
Echinococcus multilocularis	fibropellin Ia	0.0147	0.1285	0.1613
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.0991	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0071	0.0501	0.1338
Onchocerca volvulus		0.0319	0.3066	0.8193
Leishmania major	pyruvate kinase	0.0033	0.0115	0.792
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0139	0.0372
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0139	0.0175
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0071	0.0501	0.0501
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0071	0.0501	0.1338
Schistosoma mansoni	serine/threonine protein kinase	0.0022	0	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0501	0.0501
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0501	0.0501
Echinococcus multilocularis	glycoprotein Antigen 5	0.0071	0.0501	0.0628
Brugia malayi	Fes/CIP4 homology domain containing protein	0.008	0.06	0.06
Echinococcus multilocularis	carboxylesterase 5A	0.0132	0.1133	0.1421
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0139	1
Schistosoma mansoni	serine/threonine protein kinase	0.0022	0	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0501	0.0501
Leishmania major	pyruvate kinase	0.0033	0.0115	0.792
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0147	0.1285	0.1285
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Echinococcus granulosus	aryl hydrocarbon receptor	0.0026	0.0042	0.0114
Schistosoma mansoni	cell polarity protein	0.0147	0.1285	0.3435
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0089	0.0685	0.1829
Trypanosoma brucei	pyruvate kinase 1	0.0033	0.0115	0.8242
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0315	0.3018	0.3018
Brugia malayi	EGF-like domain containing protein	0.0147	0.1285	0.1285
Schistosoma mansoni	serine/threonine protein kinase	0.0022	0	0.0001
Onchocerca volvulus	Putative cubilin	0.0147	0.1285	0.3435
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0071	0.0501	0.1338
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0115	0.0144
Schistosoma mansoni	hypothetical protein	0.0147	0.1285	0.3435
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0026	0.0042	0.1765
Brugia malayi	PAS domain containing protein	0.0102	0.0819	0.0819
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0115	0.0144
Schistosoma mansoni	cercarial elastase (S01 family)	0.0071	0.0501	0.1338
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.0026	0.0042	0.0114
Trichomonas vaginalis	AGC family protein kinase	0.0022	0	0.002
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0033	0.0115	1
Schistosoma mansoni	egf-like domain protein	0.0385	0.3742	1
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0032	0.01	0.8018
Loa Loa (eye worm)	hypothetical protein	0.0132	0.1133	0.1133
Onchocerca volvulus		0.0147	0.1285	0.3435
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0147	0.1285	0.3435
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Schistosoma mansoni	notch	0.0147	0.1285	0.3435
Echinococcus granulosus	carboxylesterase 5A	0.0132	0.1133	0.3027
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0071	0.0501	0.1338
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.0139	0.0371
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0089	0.0685	0.1829
Echinococcus multilocularis	protein jagged 2	0.0147	0.1285	0.1613
Echinococcus multilocularis	geminin	0.033	0.3178	0.3987
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0139	1
Brugia malayi	protein kinase C II.	0.0108	0.0887	0.0887
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0794	0.7969	1
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0033	0.0115	0.0115
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0385	0.3742	0.3742
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0139	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0089	0.0685	0.0685
Loa Loa (eye worm)	hypothetical protein	0.0385	0.3742	0.3742
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0071	0.0501	0.0628
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0139	0.5
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0071	0.0501	0.0628
Echinococcus granulosus	pyruvate kinase	0.0033	0.0115	0.0306
Schistosoma mansoni	cercarial elastase (S01 family)	0.0071	0.0501	0.1338
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0089	0.0685	0.0859
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0168	0.1499	0.1499
Loa Loa (eye worm)	Notch2	0.0147	0.1285	0.1285
Echinococcus multilocularis	transfer RNA-Lys	0.0075	0.0547	0.0686
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Trichomonas vaginalis	AGC family protein kinase	0.0022	0	0.002
Echinococcus multilocularis	protein jagged 1	0.0147	0.1285	0.1613
Echinococcus multilocularis	acetylcholinesterase	0.0132	0.1133	0.1421
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0108	0.0887	0.0887
Schistosoma mansoni	hypothetical protein	0.0147	0.1285	0.3435
Brugia malayi	bHLH-PAS transcription factor	0.0075	0.0547	0.0547
Onchocerca volvulus	Neurogenic locus notch homolog	0.0147	0.1285	0.3435
Brugia malayi	EGF-like domain containing protein	0.0147	0.1285	0.1285
Echinococcus granulosus	serine:threonine protein kinase N2	0.0168	0.1499	0.4006
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0168	0.1499	0.1881
Chlamydia trachomatis	pyruvate kinase	0.0033	0.0115	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0385	0.3742	0.3742
Brugia malayi	Cadherin domain containing protein	0.0147	0.1285	0.1285
Trichomonas vaginalis	guanylate cyclase, putative	0.0026	0.0042	0.3055
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1154	0.1154
Plasmodium vivax	pyruvate kinase, putative	0.0033	0.0115	1
Echinococcus multilocularis	Tolloid protein 1	0.0385	0.3742	0.4696
Echinococcus granulosus	single minded 2	0.0075	0.0547	0.146
Schistosoma mansoni	septate junction protein	0.0147	0.1285	0.3435
Echinococcus granulosus	laminin	0.0385	0.3742	1
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0147	0.1285	0.3435
Loa Loa (eye worm)	hypothetical protein	0.0196	0.1794	0.1794
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0028	0.0054	0.2769
Onchocerca volvulus		0.0071	0.0501	0.1338
Trichomonas vaginalis	AGC family protein kinase	0.0022	0	0.002
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0139	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0071	0.0501	0.1338
Brugia malayi	Cadherin domain containing protein	0.0147	0.1285	0.1285
Echinococcus granulosus	neurogenic locus notch protein 4	0.0147	0.1285	0.3435
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0062	0.041	0.041
Brugia malayi	GTP-binding protein	0.0157	0.139	0.139
Brugia malayi	Latrophilin receptor protein 2	0.0062	0.041	0.041
Echinococcus multilocularis	GPCR, family 2	0.0062	0.041	0.0515
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Brugia malayi	EGF-like domain containing protein	0.0147	0.1285	0.1285
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0028	0.0054	0.2769
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0147	0.1285	0.1613
Brugia malayi	EGF-like domain containing protein	0.0147	0.1285	0.1285
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0385	0.3742	1
Schistosoma mansoni	hypothetical protein	0.0134	0.1154	0.3082
Brugia malayi	hypoxia-induced factor 1	0.0315	0.3018	0.3018
Schistosoma mansoni	notch	0.0147	0.1285	0.3435
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0089	0.0685	0.0685
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0026	0.0042	0.3055
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0115	0.0306
Echinococcus multilocularis	ras gtpase	0.0157	0.139	0.1745
Schistosoma mansoni	hypothetical protein	0.0071	0.0501	0.1338
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0026	0.0042	0.3055
Echinococcus multilocularis	neurogenic locus protein delta	0.0147	0.1285	0.1613
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Loa Loa (eye worm)	thyroid receptor interactor	0.008	0.06	0.06
Loa Loa (eye worm)	trypsin family protein	0.0071	0.0501	0.0501
Schistosoma mansoni	hypothetical protein	0.0147	0.1285	0.3435
Echinococcus granulosus	serine:threonine protein kinase N2	0.0145	0.1269	0.339
Loa Loa (eye worm)	hypothetical protein	0.0385	0.3742	0.3742
Leishmania major	protein kinase, putative	0.0028	0.0054	0.2769
Loa Loa (eye worm)	pyruvate kinase-PB	0.0023	0.001	0.001
Echinococcus multilocularis	neurogenic locus notch protein	0.0147	0.1285	0.1613
Schistosoma mansoni	cercarial elastase (S01 family)	0.0071	0.0501	0.1338
Schistosoma mansoni	pyruvate kinase	0.0033	0.0115	0.0306
Onchocerca volvulus		0.0026	0.0042	0.0114
Schistosoma mansoni	hypothetical protein	0.033	0.3178	0.8491
Echinococcus granulosus	fibropellin Ia	0.0147	0.1285	0.3435
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0022	0	0.0001
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0026	0.0042	0.1765
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0022	0.0022
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0071	0.0501	0.1338
Trichomonas vaginalis	AGC family protein kinase	0.0022	0	0.002
Schistosoma mansoni	cercarial elastase (S01 family)	0.0071	0.0501	0.1338
Echinococcus granulosus	Protein kinase C brain isozyme	0.0031	0.0085	0.0228
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0028	0.0054	0.2769
Brugia malayi	Carboxylesterase family protein	0.0132	0.1133	0.1133
Brugia malayi	GCC2 and GCC3 family protein	0.0147	0.1285	0.1285
Brugia malayi	Hr1 repeat family protein	0.0168	0.1499	0.1499
Echinococcus multilocularis	notch	0.0147	0.1285	0.1613
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0196	0.1794	0.1794
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Echinococcus granulosus	neurogenic locus notch protein	0.0147	0.1285	0.3435
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0115	0.8246
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0089	0.0685	0.1829
Brugia malayi	Muscle positioning protein 4	0.0147	0.1285	0.1285
Echinococcus multilocularis	acetylcholinesterase	0.0132	0.1133	0.1421
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.001
Schistosoma mansoni	hypothetical protein	0.0062	0.041	0.1096
Echinococcus granulosus	NDR protein kinase	0.0022	0	0.0001
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0385	0.3742	0.3742
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0022	0	0.0001
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0062	0.041	0.1096
Schistosoma mansoni	pyruvate kinase	0.0033	0.0115	0.0306
Brugia malayi	Calcium binding EGF domain containing protein	0.0147	0.1285	0.1285
Giardia lamblia	High cysteine protein	0.0147	0.1285	1
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0115	0.0306
Schistosoma mansoni	cercarial elastase (S01 family)	0.0071	0.0501	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0026	0.0042	0.0053
Onchocerca volvulus		0.0147	0.1285	0.3435
Trichomonas vaginalis	AGC family protein kinase	0.0022	0	0.002
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Echinococcus granulosus	rho-associated protein kinase 1	0.0319	0.3066	0.8193
Echinococcus multilocularis	laminin	0.0385	0.3742	0.4696
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1285	0.1285
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0079	0.0584	1
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0147	0.1285	0.1613
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.0022	0.1549
Brugia malayi	hypothetical protein	0.0341	0.3291	0.3291
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0145	0.1269	0.1592
Echinococcus multilocularis	serine threonine protein kinase	0.0024	0.0015	0.0019
Onchocerca volvulus		0.0071	0.0501	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0341	0.3291	0.3291

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.4 uM	Cytotoxicity against human HT-29 cells assessed as inhibition of cell growth after 72 hrs by MTT assay	ChEMBL.	25240870
IC50 (functional)	= 63 uM	Cytotoxicity against human MCF7 cells assessed as inhibition of cell growth after 72 hrs by MTT assay	ChEMBL.	25240870

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	25240870

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

ChEMBL: CHEMBL3338676

Bibliographic References

No literature references available for this target.

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Detailed information for compound 933766