TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 614.814 | Formula: C31H58N4O8
H donors: 6 H acceptors: 5 LogP: 5.3 Rotable bonds: 28
Rule of 5 violations (Lipinski): 3
SMILES: CCCCCCCCCCCCCCCCOCCCOC(=O)C1=C[C@H](NC(=N)N)[C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C
InChi: 1S/C31H58N4O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-41-19-17-20-42-30(40)26-21-24(35-31(32)33)27(34-23(2)37)29(43-26)28(39)25(38)22-36/h21,24-25,27-29,36,38-39H,3-20,22H2,1-2H3,(H,34,37)(H4,32,33,35)/t24-,25+,27+,28+,29+/m0/s1
InChiKey: GSDQOYBNNKECLO-CAMSERHBSA-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
Schistosoma mansoni	carbonic anhydrase-related	0.0533	0.3323	0.332
Mycobacterium ulcerans	carbonic anhydrase	0.1429	0.9218	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0005	0.0005
Loa Loa (eye worm)	notch protein	0.0231	0.1336	0.1336
Brugia malayi	Cadherin domain containing protein	0.0231	0.1336	0.1332
Mycobacterium tuberculosis	Probable serine acetyltransferase CysE (sat)	0.0071	0.0287	0.0322
Loa Loa (eye worm)	hypothetical protein	0.1548	1	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0041	0.0093	0.0172
Echinococcus multilocularis	neural cadherin	0.0231	0.1336	0.1332
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0243	0.142	0.142
Onchocerca volvulus		0.1548	1	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.1103	0.7069	1
Onchocerca volvulus		0.0206	0.1176	0.1171
Brugia malayi	Animal haem peroxidase family protein	0.1548	1	1
Mycobacterium ulcerans	transferase	0.0068	0.027	0.0254
Toxoplasma gondii	hypothetical protein	0.0036	0.0056	0.0058
Echinococcus multilocularis	mitogen activated protein kinase 11	0.013	0.0677	0.0673
Loa Loa (eye worm)	hypothetical protein	0.1548	1	1
Schistosoma mansoni	hypothetical protein	0.0533	0.3323	0.332
Schistosoma mansoni	inositol 145-trisphosphate receptor	0.0059	0.0212	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Echinococcus granulosus	ryanodine receptor 44f	0.0368	0.2239	0.2235
Schistosoma mansoni	laminin gamma-3 chain	0.0231	0.1336	0.1332
Echinococcus granulosus	carbonic anhydrase	0.0533	0.3323	0.332
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0041	0.0093	0.0093
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0165	0.0905	0.0946
Toxoplasma gondii	transporter, cation channel family protein	0.0043	0.0106	0.0213
Trypanosoma brucei	inositol 1,4,5-trisphosphate receptor	0.0167	0.0915	0.125
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0041	0.0093	1
Brugia malayi	EGF-like domain containing protein	0.0231	0.1336	0.1332
Brugia malayi	Animal haem peroxidase family protein	0.1548	1	1
Onchocerca volvulus		0.0041	0.0093	0.0088
Schistosoma mansoni	thyroid hormone receptor	0.0155	0.084	0.0836
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Brugia malayi	EGF-like domain containing protein	0.0231	0.1336	0.1332
Echinococcus granulosus	carbonic anhydrase II	0.1103	0.7069	0.7068
Schistosoma mansoni	notch	0.0231	0.1337	0.1332
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0041	0.0093	0.0088
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.013	0.0677	0.0753
Schistosoma mansoni	stromal cell-derived factor 2 precursor-like protein	0.003	0.0018	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0093	0.0093
Schistosoma mansoni	thyroid hormone receptor	0.0155	0.084	0.0836
Schistosoma mansoni	hypothetical protein	0.0171	0.0945	0.094
Onchocerca volvulus		0.1548	1	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0533	0.3323	0.3323
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0212	0.0212
Echinococcus granulosus	slit 2 protein	0.0231	0.1336	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0093	0.0093
Loa Loa (eye worm)	blistered cuticle protein 3	0.1548	1	1
Trypanosoma cruzi	Voltage-dependent calcium channel subunit, putative	0.0043	0.0106	0.0099
Echinococcus granulosus	microsomal glutathione S transferase 3	0.0113	0.0563	0.0558
Echinococcus granulosus	delta-like protein 1	0.0231	0.1336	0.1332
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.013	0.0677	0.0911
Echinococcus multilocularis	protein jagged 1	0.0231	0.1336	0.1332
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0041	0.0093	0.0088
Brugia malayi	Delta serrate ligand family protein	0.0231	0.1336	0.1332
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0041	0.0093	0.0088
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0686	0.4329	0.6855
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0005	0.0005
Brugia malayi	EGF-like domain containing protein	0.0231	0.1336	0.1332
Plasmodium falciparum	transporter, putative	0.0041	0.0093	0.0172
Loa Loa (eye worm)	calcium channel	0.0043	0.0106	0.0106
Onchocerca volvulus	Putative cubilin	0.0231	0.1336	0.1332
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0231	0.1336	0.1332
Loa Loa (eye worm)	hypothetical protein	0.1548	1	1
Onchocerca volvulus		0.0244	0.1425	0.142
Onchocerca volvulus	Chorion peroxidase homolog	0.1548	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0342	0.2069	0.2065
Echinococcus multilocularis	carbonic anhydrase	0.0533	0.3323	0.332
Schistosoma mansoni	sodium/chloride dependent transporter	0.0041	0.0093	0.0088
Echinococcus granulosus	peroxidasin	0.1548	1	1
Brugia malayi	Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog	0.0043	0.0106	0.0101
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0074	0.0309	0.0304
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0028	0.0005	0.0005
Brugia malayi	EGF-like domain containing protein	0.0231	0.1336	0.1332
Entamoeba histolytica	bacterial transferase hexapeptide family protein	0.0041	0.0088	0.0089
Schistosoma mansoni	hypothetical protein	0.0231	0.1336	0.1332
Brugia malayi	Calcium binding EGF domain containing protein	0.0231	0.1336	0.1332
Echinococcus granulosus	protein jagged 2	0.0231	0.1336	0.1332
Echinococcus multilocularis	serotonin transporter	0.0244	0.1425	0.142
Brugia malayi	Animal haem peroxidase family protein	0.1548	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0028	0.0005	0.0005
Entamoeba histolytica	protein kinase, putative	0.0342	0.2069	0.2597
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0238	0.1386	0.2097
Loa Loa (eye worm)	hypothetical protein	0.0244	0.1425	0.1425
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Loa Loa (eye worm)	hypothetical protein	0.0244	0.1425	0.1425
Mycobacterium ulcerans	transmembrane cytochrome C oxidase (subunit II) CtaC	0.0045	0.0119	0.009
Schistosoma mansoni	hypothetical protein	0.0171	0.0945	0.094
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0244	0.1425	0.142
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0005	0.0005
Echinococcus multilocularis	neurogenic locus notch protein	0.0231	0.1336	0.1332
Schistosoma mansoni	sodium/chloride dependent transporter	0.0045	0.0117	0.0112
Brugia malayi	Calcium binding EGF domain containing protein	0.0231	0.1336	0.1332
Brugia malayi	phosphoinositide-dependent protein kinase I	0.0342	0.2069	0.2065
Echinococcus granulosus	voltage dependent L type calcium channel subunit\|voltage dependent calcium channel	0.0043	0.0106	0.0101
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0041	0.0093	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0093	0.0093
Onchocerca volvulus		0.0041	0.0093	0.0088
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0041	0.0093	0.0172
Echinococcus granulosus	mitogen activated protein kinase 14	0.013	0.0677	0.0673
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0041	0.0093	0.0088
Loa Loa (eye worm)	voltage-dependent calcium channel	0.0043	0.0106	0.0106
Echinococcus multilocularis	peroxidasin	0.1548	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0088	0.0074
Plasmodium falciparum	cytochrome c oxidase subunit 2, putative	0.0045	0.0119	0.0252
Brugia malayi	hypothetical protein	0.0041	0.0093	0.0088
Brugia malayi	Peroxidasin	0.1548	1	1
Onchocerca volvulus	Peroxidasin homolog	0.1548	1	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0041	0.0093	0.0088
Brugia malayi	Muscle positioning protein 4	0.0231	0.1336	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Trichomonas vaginalis	maltose O-acetyltransferase, putative	0.0068	0.027	0.0273
Brugia malayi	EGF-like domain containing protein	0.0231	0.1336	0.1332
Schistosoma mansoni	cytochrome c oxidase subunit II	0.0123	0.0629	0.0625
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0041	0.0093	0.0088
Loa Loa (eye worm)	hypothetical protein	0.1548	1	1
Plasmodium falciparum	carbonic anhydrase	0.0533	0.3323	1
Echinococcus granulosus	voltage dependent calcium channel	0.0043	0.0106	0.0101
Loa Loa (eye worm)	animal heme peroxidase	0.1548	1	1
Loa Loa (eye worm)	carbonic anhydrase 3	0.1103	0.7069	0.7069
Schistosoma mansoni	inositol 145-trisphosphate receptor	0.0137	0.0722	0.0717
Loa Loa (eye worm)	animal heme peroxidase	0.1548	1	1
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Schistosoma mansoni	membrane associated proteins in eicosanoid and glutathione metabolism family member	0.0493	0.306	0.3057
Schistosoma mansoni	carbonic anhydrase	0.0533	0.3323	0.332
Toxoplasma gondii	hypothetical protein	0.0533	0.3323	1
Loa Loa (eye worm)	hypothetical protein	0.1548	1	1
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0041	0.0093	0.0088
Schistosoma mansoni	ryanodine receptor related	0.0453	0.28	0.2796
Echinococcus granulosus	3-phosphoinositide-dependent protein kinase 1	0.0342	0.2069	0.2065
Loa Loa (eye worm)	steroid hormone receptor	0.0028	0.0005	0.0005
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0041	0.0093	0.0088
Schistosoma mansoni	sodium/chloride dependent transporter	0.0244	0.1425	0.142
Onchocerca volvulus	Cytochrome c oxidase subunit 2 homolog	0.0045	0.0119	0.0114
Brugia malayi	Cadherin domain containing protein	0.0231	0.1336	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0106	0.0106
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0041	0.0093	0.0088
Loa Loa (eye worm)	cytochrome P450 family protein	0.0077	0.0328	0.0328
Echinococcus granulosus	serotonin transporter	0.0244	0.1425	0.142
Schistosoma mansoni	hypothetical protein	0.0231	0.1336	0.1332
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0119	0.0603	0.0598
Echinococcus multilocularis	ryanodine receptor 44f	0.0368	0.2239	0.2235
Loa Loa (eye worm)	serotonin transporter b	0.0244	0.1425	0.1425
Loa Loa (eye worm)	hypothetical protein	0.1548	1	1
Echinococcus granulosus	protein jagged 1	0.0231	0.1336	0.1332
Schistosoma mansoni	notch	0.0231	0.1336	0.1332
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0041	0.0093	0.0088
Echinococcus granulosus	sodium and chloride dependent glycine	0.0041	0.0093	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Schistosoma mansoni	high voltage-activated calcium channel Cav1	0.0043	0.0106	0.0101
Schistosoma mansoni	lipoxygenase	0.0119	0.0603	0.0598
Brugia malayi	Animal haem peroxidase family protein	0.1548	1	1
Echinococcus multilocularis	carbonic anhydrase	0.0533	0.3323	0.332
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.0783	0.4971	0.7893
Echinococcus granulosus	protein jagged 1	0.0231	0.1336	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Leishmania major	carbonic anhydrase family protein, putative	0.1231	0.7914	1
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0041	0.0093	0.0088
Brugia malayi	follicle stimulating hormone receptor	0.0243	0.142	0.1416
Trypanosoma brucei	carbonic anhydrase-like protein	0.1103	0.7069	1
Schistosoma mansoni	notch	0.0231	0.1336	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0093	0.0093
Echinococcus granulosus	carbonic anhydrase	0.0533	0.3323	0.332
Plasmodium vivax	conserved Plasmodium protein, unknown function	0.0105	0.051	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0155	0.084	0.0836
Onchocerca volvulus		0.0231	0.1336	0.1332
Echinococcus granulosus	neurogenic locus notch protein	0.0231	0.1336	0.1332
Schistosoma mansoni	hypothetical protein	0.0231	0.1336	0.1332
Brugia malayi	Animal haem peroxidase family protein	0.1548	1	1
Echinococcus granulosus	stromal cell derived factor 2	0.003	0.0018	0.0013
Brugia malayi	Ryanodine Receptor TM 4-6 family protein	0.0453	0.28	0.2796
Onchocerca volvulus		0.003	0.0018	0.0013
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.013	0.0677	0.0677
Schistosoma mansoni	peroxidasin	0.1548	1	1
Schistosoma mansoni	carbonic anhydrase	0.1231	0.7914	0.7913
Onchocerca volvulus	Slit protein homolog	0.0231	0.1336	0.1332
Onchocerca volvulus	Cytochrome c oxidase subunit 2 homolog	0.0045	0.0119	0.0114
Toxoplasma gondii	hypothetical protein	0.0041	0.0093	0.0172
Treponema pallidum	sodium- and chloride- dependent transporter	0.0244	0.1425	0.5
Onchocerca volvulus		0.0041	0.0093	0.0088
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0074	0.0309	0.0304
Schistosoma mansoni	microsomal glutathione s-transferase	0.0113	0.0563	0.0558
Loa Loa (eye worm)	hypothetical protein	0.1548	1	1
Plasmodium vivax	amine transporter, putative	0.0041	0.0093	0.1193
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0028	0.0005	0.0005
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0041	0.0093	0.0088
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.1103	0.7069	0.7068
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.0088	0.0074
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.1103	0.7069	0.7069
Trichomonas vaginalis	AGC family protein kinase	0.0342	0.2069	0.2229
Onchocerca volvulus	Dual oxidase homolog	0.1548	1	1
Wolbachia endosymbiont of Brugia malayi	2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase	0.0071	0.0287	0.2761
Giardia lamblia	High cysteine protein	0.0231	0.1336	0.5
Onchocerca volvulus		0.0231	0.1336	0.1332
Trypanosoma cruzi	inositol 1,4,5-trisphosphate receptor, putative	0.0167	0.0915	0.125
Loa Loa (eye worm)	hypothetical protein	0.0533	0.3323	0.3323
Onchocerca volvulus	Cytochrome c oxidase subunit 2 homolog	0.0045	0.0119	0.0114
Trypanosoma brucei	Voltage-dependent calcium channel subunit, putative	0.0043	0.0106	0.0099
Wolbachia endosymbiont of Brugia malayi	cytochrome c oxidase, subunit 2	0.015	0.0809	1
Onchocerca volvulus		0.1548	1	1
Schistosoma mansoni	peroxidasin	0.1548	1	1
Echinococcus multilocularis	neurogenic locus notch protein	0.0231	0.1336	0.1332
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0244	0.1425	0.142
Brugia malayi	EGF-like domain containing protein	0.0231	0.1336	0.1332
Onchocerca volvulus	Peroxidase homolog	0.1548	1	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0533	0.3323	0.3323
Trichomonas vaginalis	conserved hypothetical protein	0.1429	0.9218	1
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.013	0.0677	0.0911
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0358	0.0358
Onchocerca volvulus		0.0231	0.1336	0.1332
Entamoeba histolytica	acetyltransferase, putative	0.0071	0.0287	0.0341
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Brugia malayi	Calcium binding EGF domain containing protein	0.0231	0.1336	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Entamoeba histolytica	ankyrin, putative	0.0071	0.0288	0.0342
Leishmania major	hypothetical protein, conserved	0.0115	0.0575	0.0622
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0041	0.0093	0.0088
Echinococcus multilocularis	stromal cell derived factor 2	0.003	0.0018	0.0013
Echinococcus granulosus	fibropellin Ia	0.0231	0.1336	0.1332
Echinococcus multilocularis	ryanodine receptor 44f	0.0283	0.1682	0.1678
Schistosoma mansoni	notch	0.0231	0.1336	0.1332
Brugia malayi	MIR domain containing protein	0.003	0.0018	0.0013
Brugia malayi	GCC2 and GCC3 family protein	0.0231	0.1336	0.1332
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0231	0.1336	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0127	0.0656	0.0651
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.0982	0.6275	1
Onchocerca volvulus	Putative sulfate transporter	0.0206	0.1176	0.1171
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0244	0.1425	0.1425
Loa Loa (eye worm)	MIR domain-containing protein	0.003	0.0018	0.0018
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.1103	0.7069	0.7068
Brugia malayi	notch-like transmembrane receptor	0.0231	0.1336	0.1332
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0041	0.0093	0.0093
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0041	0.0093	0.0088
Echinococcus granulosus	protein jagged 2	0.0231	0.1336	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Loa Loa (eye worm)	hypothetical protein	0.1548	1	1
Echinococcus granulosus	carbonic anhydrase	0.0533	0.3323	0.332
Onchocerca volvulus		0.0045	0.0119	0.0114
Loa Loa (eye worm)	hypothetical protein	0.1548	1	1
Onchocerca volvulus	Cytochrome c oxidase subunit 2 homolog	0.0045	0.0119	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0041	0.0093	0.0088
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.0043	0.0106	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Mycobacterium ulcerans	carbonic anhydrase	0.1231	0.7914	0.858
Onchocerca volvulus		0.0231	0.1336	0.1332
Echinococcus granulosus	sodium and chloride dependent glycine	0.0041	0.0093	0.0088
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0041	0.0093	0.0088
Schistosoma mansoni	hypothetical protein	0.0231	0.1336	0.1332
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0041	0.0093	0.0088
Toxoplasma gondii	hypothetical protein	0.0041	0.0093	0.0172
Schistosoma mansoni	high voltage-activated calcium channel Cav2A	0.0043	0.0106	0.0101
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1103	0.7069	0.7068
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0028	0.0005	0.0005
Echinococcus multilocularis	carbonic anhydrase II	0.1103	0.7069	0.7068
Echinococcus granulosus	neurogenic locus notch protein 4	0.0231	0.1336	0.1332
Trichomonas vaginalis	conserved hypothetical protein	0.0068	0.027	0.0273
Brugia malayi	Cytochrome P450 family protein	0.0077	0.0328	0.0323
Onchocerca volvulus	Peroxidasin homolog	0.1548	1	1
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel alpha 1	0.0043	0.0106	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0382	0.0382
Loa Loa (eye worm)	hypothetical protein	0.1548	1	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0127	0.0656	0.0651
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0041	0.0093	0.0088
Loa Loa (eye worm)	ryanodine receptor	0.0172	0.0954	0.0954
Echinococcus multilocularis	mitogen activated protein kinase 14	0.013	0.0677	0.0673
Trichomonas vaginalis	conserved hypothetical protein	0.1429	0.9218	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0533	0.3323	0.332
Schistosoma mansoni	notch	0.0231	0.1336	0.1332
Echinococcus multilocularis	neurogenic locus protein delta	0.0231	0.1336	0.1332
Schistosoma mansoni	voltage-gated cation channel	0.0043	0.0106	0.0101
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0533	0.3323	0.332
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0041	0.0093	0.0088
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0342	0.2069	0.2069
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Trichomonas vaginalis	AGC family protein kinase	0.0342	0.2069	0.2229
Brugia malayi	Protein kinase domain containing protein	0.0342	0.2069	0.2065
Echinococcus granulosus	notch	0.0231	0.1336	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0005	0.0005
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0231	0.1336	0.1332
Echinococcus multilocularis	slit 2 protein	0.0231	0.1336	0.1332
Echinococcus granulosus	mitogen activated protein kinase 11	0.013	0.0677	0.0673
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.0043	0.0106	0.0101
Echinococcus multilocularis	mitogen activated protein kinase 11	0.013	0.0677	0.0673
Trichomonas vaginalis	AGC family protein kinase	0.0342	0.2069	0.2229
Schistosoma mansoni	hypothetical protein	0.0127	0.0656	0.0651
Echinococcus granulosus	dynactin 5 p25	0.0071	0.0287	0.0282
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel\|voltage dependent L type calcium channel subu	0.0043	0.0106	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Schistosoma mansoni	hypothetical protein	0.0231	0.1336	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Echinococcus multilocularis	3 phosphoinositide dependent protein kinase 1	0.0342	0.2069	0.2065
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0231	0.1336	0.1332
Leishmania major	carbonic anhydrase-like protein	0.1103	0.7069	0.892
Echinococcus granulosus	cytochrome c oxidase subunit II	0.015	0.0809	0.0804
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.1103	0.7069	1
Plasmodium vivax	cytochrome c oxidase subunit 2, putative	0.0045	0.0119	0.175
Onchocerca volvulus	Peroxidase homolog	0.1548	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0088	0.0074
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0533	0.3323	0.332
Loa Loa (eye worm)	Notch2	0.0231	0.1336	0.1336
Plasmodium falciparum	amino acid transporter, putative	0.0041	0.0093	0.0172
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0231	0.1336	0.1332
Loa Loa (eye worm)	ryanodine receptor	0.0106	0.0516	0.0516
Loa Loa (eye worm)	hypothetical protein	0.1548	1	1
Schistosoma mansoni	hypothetical protein	0.0111	0.0547	0.0543
Toxoplasma gondii	MAPEG family protein	0.0113	0.0563	0.1602
Entamoeba histolytica	carbonic anhydrase, putative	0.1231	0.7914	1
Echinococcus granulosus	ryanodine receptor 44f	0.0283	0.1682	0.1678
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Schistosoma mansoni	slit	0.0231	0.1336	0.1332
Mycobacterium tuberculosis	Probable transmembrane cytochrome C oxidase (subunit II) CtaC	0.0045	0.0119	0.005
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.0043	0.0106	0.0101
Onchocerca volvulus		0.0231	0.1336	0.1332
Mycobacterium ulcerans	hypothetical protein	0.0041	0.0088	0.0056
Echinococcus granulosus	neurogenic locus notch protein	0.0231	0.1336	0.1332
Brugia malayi	EGF-like domain containing protein	0.0231	0.1336	0.1332
Onchocerca volvulus	Neurogenic locus notch homolog	0.0231	0.1337	0.1332
Echinococcus multilocularis	fibropellin Ia	0.0231	0.1336	0.1332
Loa Loa (eye worm)	hypothetical protein	0.1548	1	1
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.1231	0.7914	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0005	0.0005
Echinococcus multilocularis	geminin	0.0171	0.0945	0.094
Echinococcus multilocularis	carbonic anhydrase	0.0533	0.3323	0.332
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0093	0.0093
Schistosoma mansoni	cell polarity protein	0.0231	0.1336	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1682	0.1682
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Echinococcus multilocularis	voltage dependent calcium channel	0.0043	0.0106	0.0101
Schistosoma mansoni	notch	0.0231	0.1336	0.1332
Schistosoma mansoni	hypothetical protein	0.0231	0.1336	0.1332
Echinococcus granulosus	geminin	0.0171	0.0945	0.094
Schistosoma mansoni	carbonic anhydrase-related	0.0533	0.3323	0.332
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Loa Loa (eye worm)	animal heme peroxidase	0.1548	1	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0093	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1336	0.1336
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0165	0.0905	0.132
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.1103	0.7069	0.7068
Loa Loa (eye worm)	norepinephrine transporter	0.0244	0.1425	0.1425
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0093	0.1193
Echinococcus multilocularis	microsomal glutathione S transferase 3	0.0113	0.0563	0.0558
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0041	0.0093	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0093	0.0093
Loa Loa (eye worm)	animal heme peroxidase	0.1548	1	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0119	0.0603	0.0598
Loa Loa (eye worm)	hypothetical protein	0.1548	1	1
Toxoplasma gondii	EGF family domain-containing protein	0.0231	0.1336	0.3954
Schistosoma mansoni	cytochrome-c oxidase	0.0045	0.0119	0.0114
Wolbachia endosymbiont of Brugia malayi	N-acetylglucosamine-1-phosphate uridyltransferase	0.0071	0.0287	0.2761
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0533	0.3323	0.332
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.0043	0.0106	0.0101
Loa Loa (eye worm)	hypothetical protein	0.1548	1	1
Schistosoma mansoni	carbonic anhydrase-related	0.0533	0.3323	0.332
Echinococcus multilocularis	mitogen activated protein kinase 14	0.013	0.0677	0.0673
Echinococcus multilocularis	protein jagged 1	0.0231	0.1336	0.1332
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0342	0.2069	0.2069
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0041	0.0093	0.0088
Schistosoma mansoni	ryanodine receptor 1 skeletal muscle	0.0052	0.0161	0.0156
Loa Loa (eye worm)	hypothetical protein	0.113	0.7248	0.7248
Schistosoma mansoni	hypothetical protein	0.0231	0.1336	0.1332
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0028	0.0005	0.0005
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0533	0.3323	0.332
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0028	0.0005	0.0005
Schistosoma mansoni	lipoxygenase	0.0083	0.0368	0.0363
Echinococcus multilocularis	voltage dependent calcium channel	0.0043	0.0106	0.0101
Brugia malayi	Blistered cuticle protein 3	0.1548	1	1
Onchocerca volvulus		0.0068	0.027	0.0265
Mycobacterium leprae	PROBABLE TRANSFERASE	0.0068	0.027	0.0341
Loa Loa (eye worm)	hypothetical protein	0.0244	0.1425	0.1425
Schistosoma mansoni	septate junction protein	0.0231	0.1336	0.1332
Echinococcus granulosus	neurogenic locus protein delta	0.0231	0.1336	0.1332
Echinococcus multilocularis	protein jagged 2	0.0231	0.1336	0.1332
Echinococcus granulosus	neural cadherin	0.0231	0.1336	0.1332
Echinococcus granulosus	voltage dependent calcium channel	0.0043	0.0106	0.0101
Echinococcus multilocularis	notch	0.0231	0.1336	0.1332
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0041	0.0093	0.0172
Mycobacterium leprae	Probable transmembrane transport protein	0.0238	0.1386	0.1751
Toxoplasma gondii	cytochrome C oxidase subunit IIb, putative	0.0045	0.0119	0.0252
Brugia malayi	P38 map kinase family protein 2	0.013	0.0677	0.0673
Echinococcus multilocularis	neurogenic locus protein delta	0.0231	0.1336	0.1332
Brugia malayi	cation channel family protein	0.0197	0.1113	0.1108
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0028	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0106	0.0106
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.013	0.0677	0.0911

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.301 uM	Antiviral activity against influenza A/Yuefang/243/72 (H3N2) virus in MDCK cells by CPE assay	ChEMBL.	17611105
IC50 (functional)	= 3.01 uM	Antiviral activity against influenza A/Jifang/15/90 (H3N2) virus in MDCK cells by CPE assay	ChEMBL.	17611105
IC50 (functional)	= 3.06 uM	Antiviral activity against influenza A/Hanfang/359/95 (H3N2) virus in MDCK cells by CPE assay	ChEMBL.	17611105
IC50 (functional)	= 18.1 uM	Antiviral activity against influenza A/Jingfang/262/95(H1N1) virus in MDCK cells by CPE assay	ChEMBL.	17611105
IC50 (functional)	= 22.3 uM	Antiviral activity against influenza B/Jingfang/76/98 in MDCK cells by CPE assay	ChEMBL.	17611105
IC50 (functional)	= 22.3 uM	Antiviral activity against influenza B/Sichuan/83/2000 virus in MDCK cells by CPE assay	ChEMBL.	17611105
IC50 (functional)	= 23.4 uM	Antiviral activity against influenza B/Jifang/13/97 virus in MDCK cells by CPE assay	ChEMBL.	17611105

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: CHEMBL140893

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 443932