TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 370.437 | Formula: C19H30O7
H donors: 1 H acceptors: 2 LogP: 3.12 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)[C@@H](CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3)C
InChi: 1S/C19H30O7/c1-10-5-6-14-12(3)16(22-9-11(2)15(20)21)23-17-19(14)13(10)7-8-18(4,24-17)25-26-19/h10-14,16-17H,5-9H2,1-4H3,(H,20,21)/t10-,11-,12-,13+,14+,16+,17-,18-,19-/m1/s1
InChiKey: HBTRKFIRCRFPMK-WNTCPWGBSA-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	Protein kinase domain containing protein	0.122635	0.50828	0.606607
Schistosoma mansoni	glutamate synthase	0.0127924	0.00216972	0.000807993
Echinococcus multilocularis	protein jagged 1	0.014052	0.00797327	0.0111211
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0127924	0.00216972	0.00115876
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0481947	0.165289	1
Onchocerca volvulus		0.0259483	0.0627865	1
Brugia malayi	Cadherin domain containing protein	0.014052	0.00797327	0.00775467
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0481947	0.165289	0.280335
Echinococcus multilocularis	cyclin dependent kinase 9	0.0149185	0.0119657	0.0179746
Brugia malayi	GCC2 and GCC3 family protein	0.0400002	0.127532	0.150863
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Brugia malayi	Calcium binding EGF domain containing protein	0.014052	0.00797327	0.00775467
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0481947	0.165289	0.280335
Plasmodium vivax	thioredoxin reductase, putative	0.139078	0.584044	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0481947	0.165289	0.280335
Echinococcus granulosus	protein jagged 2	0.014052	0.00797327	0.0111211
Trypanosoma brucei	trypanothione reductase	0.139078	0.584044	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.1637	0.697491	0.833086
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0127924	0.00216972	0.00115876
Plasmodium falciparum	glutathione reductase	0.0481947	0.165289	0.280335
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0481947	0.165289	0.280335
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0205254	0.0378	0.0434564
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.014052	0.00797327	0.00775467
Loa Loa (eye worm)	programmed cell death 8	0.0127924	0.00216972	0.00216972
Echinococcus multilocularis	neurogenic locus notch protein	0.014052	0.00797327	0.0111211
Brugia malayi	Sushi domain	0.0259483	0.0627865	0.0733645
Plasmodium falciparum	glutathione reductase	0.139078	0.584044	1
Echinococcus multilocularis	neural cadherin	0.014052	0.00797327	0.0111211
Echinococcus granulosus	Immunoglobulin	0.0205254	0.0378	0.0623215
Echinococcus granulosus	defective proboscis extension response	0.0205254	0.0378	0.0623215
Loa Loa (eye worm)	Notch2	0.014052	0.00797327	0.00797327
Loa Loa (eye worm)	hypothetical protein	0.028381	0.0739955	0.0739955
Loa Loa (eye worm)	hypothetical protein	0.0127924	0.00216972	0.00216972
Schistosoma mansoni	notch	0.014052	0.00797327	0.00775467
Schistosoma mansoni	notch	0.014052	0.00797327	0.00775467
Echinococcus multilocularis	Immunoglobulin	0.0205254	0.0378	0.0623215
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0481947	0.165289	0.280335
Schistosoma mansoni	septate junction protein	0.014052	0.00797327	0.00775467
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0481947	0.165289	0.280335
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Schistosoma mansoni	glutamate synthase	0.0127924	0.00216972	0.000807993
Echinococcus multilocularis	neurogenic locus protein delta	0.014052	0.00797327	0.0111211
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase family protein	0.0127924	0.00216972	0.000807993
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0272168	0.0686314	0.0803606
Brugia malayi	Cyclin, N-terminal domain containing protein	0.097281	0.391459	0.466776
Echinococcus granulosus	protein jagged 1	0.014052	0.00797327	0.0111211
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0481947	0.165289	1
Loa Loa (eye worm)	hypothetical protein	0.0205254	0.0378	0.0378
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Brugia malayi	EGF-like domain containing protein	0.014052	0.00797327	0.00775467
Echinococcus granulosus	NADPH:adrenodoxin oxidoreductase	0.0127924	0.00216972	0.00115876
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0205254	0.0378	0.0434564
Echinococcus granulosus	c4b binding protein beta chain	0.0259483	0.0627865	0.105213
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0354023	0.106347	0.125505
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0272168	0.0686314	0.115246
Entamoeba histolytica	disulphide oxidoreductase, putative	0.0127924	0.00216972	0.00171442
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0481947	0.165289	0.281169
Trypanosoma cruzi	trypanothione reductase, putative	0.0481947	0.165289	0.280335
Entamoeba histolytica	glutamate synthase beta subunit, putative	0.0127924	0.00216972	0.00171442
Loa Loa (eye worm)	hypothetical protein	0.0400002	0.127532	0.127532
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Schistosoma mansoni	g1/s-specific cyclin C	0.193964	0.836938	1
Schistosoma mansoni	cell polarity protein	0.014052	0.00797327	0.00775467
Echinococcus granulosus	roundabout 2	0.0324586	0.0927834	0.156706
Echinococcus multilocularis	apoptosis inducing factor 1 mitochondrial	0.0127924	0.00216972	0.00115876
Toxoplasma gondii	NADPH-glutathione reductase	0.0481947	0.165289	0.280335
Onchocerca volvulus		0.0259483	0.0627865	1
Entamoeba histolytica	cyclin C, putative	0.0980999	0.395232	1
Entamoeba histolytica	glutamate synthase beta subunit, putative	0.0127924	0.00216972	0.00171442
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0481947	0.165289	0.280335
Schistosoma mansoni	disulfide oxidoreductase	0.0127924	0.00216972	0.000807993
Echinococcus multilocularis	cyclin	0.097281	0.391459	0.669411
Brugia malayi	hypothetical protein	0.0259483	0.0627865	0.0733645
Echinococcus granulosus	cyclin	0.097281	0.391459	0.669411
Brugia malayi	hypothetical protein	0.0259483	0.0627865	0.0733645
Schistosoma mansoni	hypothetical protein	0.014052	0.00797327	0.00775467
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Loa Loa (eye worm)	gastrulation defective protein 1	0.122247	0.506491	0.506491
Plasmodium vivax	apical sushi protein, putative	0.0259483	0.0627865	0.104175
Loa Loa (eye worm)	hypothetical protein	0.0259483	0.0627865	0.0627865
Echinococcus granulosus	apoptosis inducing factor 1 mitochondrial	0.0127924	0.00216972	0.00115876
Brugia malayi	hypothetical protein	0.0259483	0.0627865	0.0733645
Echinococcus multilocularis	NADPH:adrenodoxin oxidoreductase	0.0127924	0.00216972	0.00115876
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0481947	0.165289	0.280335
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0481947	0.165289	0.280335
Schistosoma mansoni	amine GPCR	0.0428444	0.140637	0.166549
Schistosoma mansoni	notch	0.014052	0.00797327	0.00775467
Brugia malayi	Calcium binding EGF domain containing protein	0.014052	0.00797327	0.00775467
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Onchocerca volvulus		0.014052	0.00797327	0.0957416
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0481947	0.165289	0.280335
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Brugia malayi	pregnancy-associated plasma protein-A	0.0259483	0.0627865	0.0733645
Echinococcus multilocularis	slit 2 protein	0.014052	0.00797327	0.0111211
Brugia malayi	Cyclin C	0.193964	0.836938	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0272168	0.0686314	0.0686314
Brugia malayi	EGF-like domain containing protein	0.014052	0.00797327	0.00775467
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0481947	0.165289	0.196057
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.014052	0.00797327	0.0957416
Echinococcus granulosus	cyclin dependent kinase 19	0.122635	0.50828	0.869945
Loa Loa (eye worm)	glutathione reductase	0.139078	0.584044	0.584044
Schistosoma mansoni	hypothetical protein	0.014052	0.00797327	0.00775467
Echinococcus granulosus	neurogenic locus notch protein 4	0.014052	0.00797327	0.0111211
Brugia malayi	Thioredoxin reductase	0.139078	0.584044	0.697293
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0481947	0.165289	0.280335
Loa Loa (eye worm)	hypothetical protein	0.1637	0.697491	0.697491
Echinococcus granulosus	fibropellin Ia	0.014052	0.00797327	0.0111211
Onchocerca volvulus		0.014052	0.00797327	0.0957416
Loa Loa (eye worm)	hypothetical protein	0.0205254	0.0378	0.0378
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0481947	0.165289	1
Brugia malayi	Calcium binding EGF domain containing protein	0.014052	0.00797327	0.00775467
Plasmodium vivax	glutathione reductase, putative	0.139078	0.584044	1
Brugia malayi	Muscle positioning protein 4	0.014052	0.00797327	0.00775467
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0127924	0.00216972	0.00115876
Echinococcus granulosus	twitchin	0.0261555	0.0637413	0.106852
Echinococcus multilocularis	c4b binding protein beta chain	0.0259483	0.0627865	0.105213
Loa Loa (eye worm)	hypothetical protein	0.0272168	0.0686314	0.0686314
Echinococcus multilocularis	notch	0.014052	0.00797327	0.0111211
Brugia malayi	hypothetical protein	0.0205254	0.0378	0.0434564
Entamoeba histolytica	pyridine nucleotide-disulfide oxidoreductase family protein	0.0127924	0.00216972	0.00171442
Loa Loa (eye worm)	thioredoxin reductase	0.139078	0.584044	0.584044
Onchocerca volvulus	Putative cubilin	0.014052	0.00797327	0.0957416
Onchocerca volvulus		0.0259483	0.0627865	1
Toxoplasma gondii	rhoptry neck protein RON9	0.0259483	0.0627865	0.104175
Loa Loa (eye worm)	cyclin domain-containing protein	0.097281	0.391459	0.391459
Onchocerca volvulus		0.0259483	0.0627865	1
Echinococcus multilocularis	glutamate synthase	0.0127924	0.00216972	0.00115876
Schistosoma mansoni	notch	0.014052	0.00797327	0.00775467
Echinococcus granulosus	protein jagged 2	0.014052	0.00797327	0.0111211
Loa Loa (eye worm)	hypothetical protein	0.0205254	0.0378	0.0378
Schistosoma mansoni	hypothetical protein	0.014052	0.00797327	0.00775467
Brugia malayi	hypothetical protein	0.0259483	0.0627865	0.0733645
Onchocerca volvulus		0.014052	0.00797327	0.0957416
Loa Loa (eye worm)	hypothetical protein	0.0259483	0.0627865	0.0627865
Echinococcus multilocularis	thioredoxin glutathione reductase	0.139078	0.584044	1
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Schistosoma mansoni	hypothetical protein	0.014052	0.00797327	0.00775467
Loa Loa (eye worm)	hypothetical protein	0.229354	1	1
Echinococcus granulosus	pyridine nucleotide disulfide oxidoreductase	0.0127924	0.00216972	0.00115876
Echinococcus multilocularis	fat cadherin tumor suppressor	0.014052	0.00797327	0.0111211
Brugia malayi	hypothetical protein	0.0259483	0.0627865	0.0733645
Brugia malayi	EGF-like domain containing protein	0.014052	0.00797327	0.00775467
Echinococcus multilocularis	cyclin dependent kinase 19	0.122635	0.50828	0.869945
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.0127924	0.00216972	0.00171442
Onchocerca volvulus	Neurogenic locus notch homolog	0.014052	0.00797327	0.0957416
Echinococcus granulosus	neurogenic locus notch protein	0.014052	0.00797327	0.0111211
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0127924	0.00216972	0.00171442
Echinococcus granulosus	oligomeric golgi complex subunit 3	0.097281	0.391459	0.669411
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Echinococcus multilocularis	C type lectin domian containing protein	0.0259483	0.0627865	0.105213
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Plasmodium falciparum	apical sushi protein	0.0259483	0.0627865	0.104175
Echinococcus granulosus	sulfide:quinone oxidoreductase	0.0127924	0.00216972	0.00115876
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0481947	0.165289	0.280335
Mycobacterium tuberculosis	Probable oxidoreductase	0.0481947	0.165289	0.280335
Schistosoma mansoni	nephrin	0.0257671	0.061952	0.0723656
Echinococcus granulosus	neurogenic locus notch protein	0.014052	0.00797327	0.0111211
Loa Loa (eye worm)	CMGC/CDK/CDK8 protein kinase	0.122635	0.50828	0.50828
Echinococcus granulosus	slit 2 protein	0.014052	0.00797327	0.0111211
Echinococcus multilocularis	sulfide:quinone oxidoreductase	0.0127924	0.00216972	0.00115876
Entamoeba histolytica	thioredoxin reductase, putative	0.0127924	0.00216972	0.00171442
Echinococcus multilocularis	Immunoglobulin	0.0205254	0.0378	0.0623215
Giardia lamblia	High cysteine protein	0.014052	0.00797327	0.0355785
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Leishmania major	trypanothione reductase	0.139078	0.584044	1
Echinococcus multilocularis	neuroglian	0.0257671	0.061952	0.103781
Toxoplasma gondii	thioredoxin reductase	0.139078	0.584044	1
Loa Loa (eye worm)	hypothetical protein	0.0259483	0.0627865	0.0627865
Loa Loa (eye worm)	hypothetical protein	0.0259483	0.0627865	0.0627865
Trichomonas vaginalis	mercuric reductase, putative	0.0481947	0.165289	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0481947	0.165289	1
Echinococcus multilocularis	neurogenic locus notch protein 4	0.014052	0.00797327	0.0111211
Loa Loa (eye worm)	hypothetical protein	0.0324586	0.0927834	0.0927834
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0481947	0.165289	0.280335
Schistosoma mansoni	hypothetical protein	0.014052	0.00797327	0.00775467
Loa Loa (eye worm)	cyclin C	0.193964	0.836938	0.836938
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0481947	0.165289	0.280335
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0481947	0.165289	0.280335
Brugia malayi	EGF-like domain containing protein	0.014052	0.00797327	0.00775467
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0205254	0.0378	0.0623215
Brugia malayi	EGF-like domain containing protein	0.014052	0.00797327	0.00775467
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0481947	0.165289	0.280335
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Brugia malayi	glutathione reductase	0.139078	0.584044	0.697293
Loa Loa (eye worm)	hypothetical protein	0.0205254	0.0378	0.0378
Onchocerca volvulus		0.0259483	0.0627865	1
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Onchocerca volvulus		0.0259483	0.0627865	1
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Onchocerca volvulus		0.0259483	0.0627865	1
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0127924	0.00216972	0.00115876
Echinococcus multilocularis	roundabout 2	0.0324586	0.0927834	0.156706
Onchocerca volvulus		0.0259483	0.0627865	1
Schistosoma mansoni	notch	0.014052	0.00797327	0.00775467
Schistosoma mansoni	c4b-binding protein beta chain	0.0259483	0.0627865	0.0733645
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0481947	0.165289	0.280335
Loa Loa (eye worm)	CMGC/CDK/CDK9 protein kinase	0.0126459	0.00149469	0.00149469
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0481947	0.165289	0.280335
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0481947	0.165289	0.280335
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Schistosoma mansoni	slit	0.014052	0.00797327	0.00775467
Echinococcus granulosus	protein jagged 1	0.014052	0.00797327	0.0111211
Loa Loa (eye worm)	hypothetical protein	0.0259483	0.0627865	0.0627865
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0481947	0.165289	0.280335
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0481947	0.165289	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0481947	0.165289	0.280335
Echinococcus granulosus	neural cadherin	0.014052	0.00797327	0.0111211
Trypanosoma cruzi	trypanothione reductase, putative	0.139078	0.584044	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0481947	0.165289	0.196057
Schistosoma mansoni	sulfide quinone reductase	0.0127924	0.00216972	0.000807993
Loa Loa (eye worm)	pyridine nucleotide-disufhide oxidoreductase	0.0127924	0.00216972	0.00216972
Echinococcus multilocularis	neurogenic locus notch protein	0.014052	0.00797327	0.0111211
Schistosoma mansoni	cell adhesion molecule	0.0272168	0.0686314	0.0803606
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.1637	0.697491	0.833086
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0205254	0.0378	0.0434564
Echinococcus granulosus	cyclin dependent kinase 9	0.0149185	0.0119657	0.0179746
Loa Loa (eye worm)	hypothetical protein	0.0205254	0.0378	0.0378
Onchocerca volvulus		0.014052	0.00797327	0.0957416
Echinococcus multilocularis	pyridine nucleotide disulfide oxidoreductase	0.0127924	0.00216972	0.00115876
Brugia malayi	EGF-like domain containing protein	0.014052	0.00797327	0.00775467
Schistosoma mansoni	hypothetical protein	0.014052	0.00797327	0.00775467
Loa Loa (eye worm)	hypothetical protein	0.1637	0.697491	0.697491
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.139078	0.584044	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.139078	0.584044	1
Echinococcus multilocularis	fibropellin Ia	0.014052	0.00797327	0.0111211
Treponema pallidum	NADH oxidase	0.0481947	0.165289	1
Toxoplasma gondii	EGF family domain-containing protein	0.014052	0.00797327	0.0099739
Echinococcus multilocularis	neurogenic locus protein delta	0.014052	0.00797327	0.0111211
Loa Loa (eye worm)	hypothetical protein	0.0205254	0.0378	0.0378
Onchocerca volvulus		0.0259483	0.0627865	1
Brugia malayi	NADPH:adrenodoxin oxidoreductase, mitochondrial precursor	0.0127924	0.00216972	0.000807993
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0481947	0.165289	0.280335
Schistosoma mansoni	glutamate synthase	0.0127924	0.00216972	0.000807993
Plasmodium falciparum	thioredoxin reductase	0.139078	0.584044	1
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.014052	0.00797327	0.00775467
Schistosoma mansoni	hypothetical protein	0.0127924	0.00216972	0.000807993
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0481947	0.165289	1
Echinococcus multilocularis	protein jagged 2	0.014052	0.00797327	0.0111211
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0481947	0.165289	1
Toxoplasma gondii	rhoptry neck protein RON1	0.0259483	0.0627865	0.104175
Plasmodium falciparum	thioredoxin reductase	0.0481947	0.165289	0.280335
Onchocerca volvulus		0.0259483	0.0627865	1
Loa Loa (eye worm)	notch protein	0.014052	0.00797327	0.00797327
Brugia malayi	EGF-like domain containing protein	0.014052	0.00797327	0.00775467
Schistosoma mansoni	serine/threonine protein kinase	0.122635	0.50828	0.606607
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0354023	0.106347	0.125505
Schistosoma mansoni	notch	0.014052	0.00797327	0.00775467
Schistosoma mansoni	hypothetical protein	0.014052	0.00797327	0.00775467
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0481947	0.165289	1
Schistosoma mansoni	vesicular amine transporter	0.0205254	0.0378	0.0434564
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Echinococcus granulosus	glutamate synthase	0.0127924	0.00216972	0.00115876
Brugia malayi	glutamate synthase	0.0127924	0.00216972	0.000807993
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase family protein	0.0127924	0.00216972	0.000807993
Echinococcus multilocularis	oligomeric golgi complex subunit 3	0.097281	0.391459	0.669411
Onchocerca volvulus		0.014052	0.00797327	0.0957416
Onchocerca volvulus	Slit protein homolog	0.014052	0.00797327	0.0957416
Brugia malayi	Delta serrate ligand family protein	0.014052	0.00797327	0.00775467
Echinococcus multilocularis	protein jagged 1	0.014052	0.00797327	0.0111211
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0481947	0.165289	0.281169
Brugia malayi	Cadherin domain containing protein	0.014052	0.00797327	0.00775467
Schistosoma mansoni	sulfide quinone reductase	0.0127924	0.00216972	0.000807993
Echinococcus granulosus	C type lectin domian containing protein	0.0259483	0.0627865	0.105213
Trichomonas vaginalis	glutathione reductase, putative	0.0481947	0.165289	1
Echinococcus granulosus	neurogenic locus protein delta	0.014052	0.00797327	0.0111211
Loa Loa (eye worm)	hypothetical protein	0.0259483	0.0627865	0.0627865
Echinococcus granulosus	delta-like protein 1	0.014052	0.00797327	0.0111211
Loa Loa (eye worm)	hypothetical protein	0.06846	0.258663	0.258663
Loa Loa (eye worm)	hypothetical protein	0.0259483	0.0627865	0.0627865
Brugia malayi	hypothetical protein	0.0259483	0.0627865	0.0733645
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0481947	0.165289	0.280335
Loa Loa (eye worm)	hypothetical protein	0.0324586	0.0927834	0.0927834
Brugia malayi	notch-like transmembrane receptor	0.014052	0.00797327	0.00775467
Brugia malayi	hypothetical protein	0.0259483	0.0627865	0.0733645
Brugia malayi	Fibronectin type III domain containing protein	0.0205254	0.0378	0.0434564
Echinococcus granulosus	notch	0.014052	0.00797327	0.0111211
Loa Loa (eye worm)	hypothetical protein	0.014052	0.00797327	0.00797327
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0481947	0.165289	0.280335
Echinococcus granulosus	neuroglian	0.0257671	0.061952	0.103781
Loa Loa (eye worm)	pregnancy-associated plasma protein-E	0.0259483	0.0627865	0.0627865
Schistosoma mansoni	laminin gamma-3 chain	0.014052	0.00797327	0.00775467

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 5.32 ng ml-1	In vitro antimalarial activity against the P. falciparum clone Indochina (W-2)	ChEMBL.	2657065
IC50 (functional)	= 22.24 ng ml-1	In vitro antimalarial activity against the P. falciparum clone Sierra leone (D-6)	ChEMBL.	2657065

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	2657065

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: CHEMBL2093023

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1661344