TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 558.941 | Formula: C25H28ClN2NaO9
H donors: 5 H acceptors: 7 LogP: 1.5 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H]([C@@H](CNC(=O)c1cccc(c1)Cl)O)O)(OCc1ccccc1)C(=O)[O-].[Na+]
InChi: 1S/C25H29ClN2O9.Na/c1-14(29)28-20-18(30)11-25(24(34)35,36-13-15-6-3-2-4-7-15)37-22(20)21(32)19(31)12-27-23(33)16-8-5-9-17(26)10-16;/h2-10,18-22,30-32H,11-13H2,1H3,(H,27,33)(H,28,29)(H,34,35);/q;+1/p-1/t18-,19+,20+,21-,22+,25+;/m0./s1
InChiKey: AJQYSVQPZMBUCW-PPJYUMFQSA-M

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
Onchocerca volvulus	Cathepsin F homolog	0.0225	0.2858	1
Leishmania major	cathepsin L-like protease	0.0225	0.2858	0.5621
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0042	0.0225	0.0459
Trypanosoma cruzi	cysteine peptidase, putative	0.0225	0.2858	0.5621
Entamoeba histolytica	cysteine protease, putative	0.0225	0.2858	1
Leishmania major	cysteine peptidase A (CPA)	0.0225	0.2858	0.5621
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0225	0.2858	0.5822
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0225	0.0459
Entamoeba histolytica	cysteine proteinase, putative	0.0225	0.2858	1
Echinococcus multilocularis		0.0364	0.4855	0.4851
Onchocerca volvulus		0.0151	0.179	0.6256
Plasmodium vivax	unspecified product	0.0116	0.1292	0.2279
Schistosoma mansoni	hypothetical protein	0.0045	0.0269	0.0263
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0042	0.0225	0.0219
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.006	0.0487	0.0559
Leishmania major	cytochrome p450-like protein	0.0045	0.0269	0.0094
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.0487	0.0559
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0074	0.0697	0.1407
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.012	0.1345	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0116	0.1292	0.2279
Plasmodium vivax	vivapain-3	0.0116	0.1292	0.2279
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.2858	0.5621
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.012	0.1345	0.2392
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0368	0.4909	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0042	0.0225	0.0219
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.2858	0.5621
Schistosoma mansoni	cathepsin B (C01 family)	0.0042	0.0225	0.0219
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.2858	0.5621
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0225	0.0459
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.2858	0.5621
Loa Loa (eye worm)	hypothetical protein	0.0151	0.179	0.3648
Loa Loa (eye worm)	ctsf protein	0.0225	0.2858	0.5822
Schistosoma mansoni	cathepsin F (C01 family)	0.0151	0.179	0.1785
Entamoeba histolytica	cysteine protease, putative	0.0116	0.1292	0.4054
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	0.0368	0.4909	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.2176	0.4165
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0116	0.1292	0.1286
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.2858	0.5621
Loa Loa (eye worm)	cytochrome P450	0.0045	0.0269	0.0549
Entamoeba histolytica	cysteine protease, putative	0.0116	0.1292	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0225	0.2858	0.5816
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.2858	0.5621
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151	0.179	0.3342
Leishmania major	cathepsin L-like protease	0.0225	0.2858	0.5621
Brugia malayi	Protein kinase domain containing protein	0.0368	0.4909	1
Entamoeba histolytica	cysteine proteinase, putative	0.0116	0.1292	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0151	0.179	0.3648
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.0487	0.0559
Brugia malayi	Cathepsin L-like precursor	0.0225	0.2858	0.5816
Trypanosoma cruzi	cysteine proteinase, putative	0.0116	0.1292	0.2279
Loa Loa (eye worm)	cysteine protease	0.0225	0.2858	0.5822
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.2176	0.4165
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.2858	0.5621
Echinococcus multilocularis	cathepsin L cysteine protease	0.0225	0.2858	0.2853
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.2858	0.5621
Entamoeba histolytica	cysteine protease, putative	0.0116	0.1292	0.4054
Trichomonas vaginalis	glucosylceramidase, putative	0.027	0.3511	0.7015
Echinococcus granulosus	mitogen activated protein kinase	0.006	0.0487	0.0481
Trichomonas vaginalis	glucosylceramidase, putative	0.027	0.3511	0.7015
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.0487	0.0559
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0697	0.1419
Schistosoma mansoni	cathepsin s	0.0074	0.0697	0.069
Trypanosoma cruzi	cysteine peptidase, putative	0.0225	0.2858	0.5621
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0007	0.0014
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.2858	0.5621
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.2176	0.4165
Brugia malayi	Cathepsin L-like precursor	0.0225	0.2858	0.5816
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0874	0.178
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.009	0.0928	0.15
Echinococcus multilocularis	cysteine protease	0.0225	0.2858	0.2853
Entamoeba histolytica	cysteine protease, putative	0.0116	0.1292	0.4054
Brugia malayi	MAP kinase sur-1	0.006	0.0487	0.098
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0225	0.2858	0.5822
Plasmodium vivax	vivapain-1	0.0116	0.1292	0.2279
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.009	0.0928	0.189
Brugia malayi	Cathepsin L-like precursor	0.0225	0.2858	0.5816
Entamoeba histolytica	cysteine protease, putative	0.0116	0.1292	0.4054
Plasmodium vivax	serine/threonine kinase-1, putative	0.0368	0.4909	1
Entamoeba histolytica	cysteine proteinase, putative	0.0116	0.1292	0.4054
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0045	0.0269	0.0094
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.2858	0.5621
Trypanosoma cruzi	cytochrome P450, putative	0.0072	0.0663	0.0935
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0042	0.0225	0.0219
Leishmania major	cathepsin L-like protease	0.0225	0.2858	0.5621
Loa Loa (eye worm)	CYP4Cod1	0.0072	0.0663	0.1351
Loa Loa (eye worm)	cathepsin B	0.0042	0.0225	0.0459
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0023	0.0047
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.006	0.0487	0.0993
Echinococcus granulosus	cytochrome P450 2K1	0.0045	0.0269	0.0263
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0116	0.1292	0.1286
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0225	0.0459
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.012	0.1345	0.2731
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.006	0.0487	0.0559
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0116	0.1292	0.1286
Echinococcus multilocularis	cathepsin L	0.0042	0.0225	0.0219
Leishmania major	cathepsin L-like protease	0.0225	0.2858	0.5621
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.012	0.1345	0.1339
Trichomonas vaginalis	glucosylceramidase, putative	0.027	0.3511	0.7015
Leishmania major	cytochrome p450-like protein	0.0072	0.0663	0.0935
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0007	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0225	0.0459
Brugia malayi	Papain family cysteine protease containing protein	0.0042	0.0225	0.0445
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151	0.179	0.3342
Schistosoma mansoni	cathepsin F (C01 family)	0.0225	0.2858	0.2853
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.012	0.1345	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.2858	0.5621
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.2858	0.5621
Brugia malayi	Papain family cysteine protease containing protein	0.0116	0.1292	0.2623
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0225	0.2858	0.5621
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.012	0.1345	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.2858	0.5621
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.0368	0.4909	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0116	0.1292	0.2279
Plasmodium vivax	vivapain-2	0.0225	0.2858	0.5621
Schistosoma mansoni	serine/threonine protein kinase	0.009	0.0928	0.0921
Entamoeba histolytica	hypothetical protein	0.009	0.0928	0.2668
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.0487	0.0559
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0697	0.1419
Echinococcus granulosus	dual specificity protein kinase clk2	0.0368	0.4909	0.4905
Brugia malayi	Papain family cysteine protease containing protein	0.0042	0.0225	0.0445
Entamoeba histolytica	protein kinase, putative	0.009	0.0928	0.2668
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0112	0.123	0.2506
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.009	0.0928	0.15
Entamoeba histolytica	cysteine proteinase, putative	0.0151	0.179	0.5946
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.027	0.3511	0.7148
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0116	0.1292	0.2279
Schistosoma mansoni	serine/threonine protein kinase	0.0368	0.4909	0.4905
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0045	0.0269	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0364	0.4855	0.989
Entamoeba histolytica	cysteine protease, putative	0.0116	0.1292	0.4054
Echinococcus multilocularis	microtubule associated protein 2	0.0723	1	1
Leishmania major	cathepsin L-like protease	0.0225	0.2858	0.5621
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.2858	0.5621
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0225	0.2858	0.2853
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.009	0.0928	0.15
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.2176	0.4165
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0697	0.1419
Entamoeba histolytica	protein kinase, putative	0.009	0.0928	0.2668
Brugia malayi	Cathepsin L-like precursor	0.0151	0.179	0.3639
Entamoeba histolytica	cysteine protease, putative	0.0116	0.1292	0.4054
Onchocerca volvulus		0.0225	0.2858	1
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.0368	0.4909	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0225	0.2858	0.5621
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0116	0.1292	0.2279
Onchocerca volvulus		0.0225	0.2858	1
Onchocerca volvulus		0.0225	0.2858	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0187	0.2313	0.4458
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.2858	0.5621
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.2858	0.5621
Plasmodium falciparum	protein serine/threonine kinase-1	0.0368	0.4909	1
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0368	0.4909	0.4905
Mycobacterium leprae	Conserved hypothetical protein	0.0045	0.0269	0.5
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0225	0.2858	0.5621
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.2858	0.5621
Echinococcus granulosus	cathepsin b	0.0042	0.0225	0.0219
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.027	0.3511	0.7152
Loa Loa (eye worm)	cytochrome P450 family protein	0.0124	0.1414	0.288
Brugia malayi	Cytochrome P450 family protein	0.0045	0.0269	0.0535
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.2858	0.5621
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0225	0.2858	0.5621
Onchocerca volvulus		0.0225	0.2858	1
Onchocerca volvulus	Cathepsin L homolog	0.0042	0.0225	0.0766
Onchocerca volvulus	Glucosylceramidase homolog	0.0177	0.2176	0.7609
Trypanosoma cruzi	cruzipain precursor, putative	0.0074	0.0697	0.1007
Schistosoma mansoni	cathepsin F (C01 family)	0.0225	0.2858	0.2853
Entamoeba histolytica	cysteine protease, putative	0.0116	0.1292	0.4054
Onchocerca volvulus		0.0225	0.2858	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0116	0.1292	0.2279
Echinococcus multilocularis		0.0045	0.0269	0.0263
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.006	0.0487	0.0559
Leishmania major	cathepsin L-like protease	0.0225	0.2858	0.5621
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0874	0.178
Schistosoma mansoni	cytochrome P450	0.0045	0.0269	0.0263
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0042	0.0225	0.0445
Brugia malayi	Cathepsin L-like precursor	0.0151	0.179	0.3639
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.2858	0.5621
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0045	0.0269	0.0094
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.2858	0.5621
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0368	0.4909	1
Brugia malayi	Cytochrome P450 family protein	0.0124	0.1414	0.287
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0116	0.1292	0.2279
Brugia malayi	cathepsin B-like cysteine proteinase	0.0042	0.0225	0.0445
Schistosoma mansoni	serine/threonine protein kinase	0.0368	0.4909	0.4905
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.2858	0.5621
Echinococcus granulosus	hypothetical protein	0.0364	0.4855	0.4851
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.2858	0.5621
Trichomonas vaginalis	glucosylceramidase, putative	0.027	0.3511	0.7015
Entamoeba histolytica	cysteine proteinase 1, putative	0.0116	0.1292	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.2858	0.5621
Trypanosoma cruzi	cysteine protease, putative	0.0116	0.1292	0.2279
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0042	0.0225	0.0445
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0225	0.2858	0.5621
Brugia malayi	Cathepsin L-like precursor	0.0074	0.0697	0.1407
Echinococcus multilocularis	cathepsin b	0.0042	0.0225	0.0219
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.2858	0.5621
Entamoeba histolytica	cysteine protease, putative	0.0116	0.1292	0.4054
Brugia malayi	fibroinase precursor	0.0042	0.0225	0.0445
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.2858	0.5621
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.006	0.0487	0.0559
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0042	0.0225	0.0219
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0045	0.0269	0.0094
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0225	0.2858	0.2853
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0116	0.1292	0.2279
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.006	0.0487	0.0559
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0042	0.0225	0.0219
Echinococcus multilocularis	cathepsin b	0.0042	0.0225	0.0219
Entamoeba histolytica	cysteine protease, putative	0.0116	0.1292	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0042	0.0225	0.0459
Leishmania major	cathepsin L-like protease	0.0225	0.2858	0.5621
Trypanosoma cruzi	cytochrome P450, putative	0.0072	0.0663	0.0935
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0243	0.311	0.6336
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0368	0.4909	1
Brugia malayi	Cytochrome P450 family protein	0.0072	0.0663	0.1339
Trypanosoma cruzi	cruzipain precursor, putative	0.0225	0.2858	0.5621
Trichomonas vaginalis	CMGC family protein kinase	0.0368	0.4909	1
Entamoeba histolytica	protein kinase domain containing protein	0.009	0.0928	0.2668
Trichomonas vaginalis	glucosylceramidase, putative	0.027	0.3511	0.7015
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0042	0.0225	0.0445
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.2858	0.5621
Onchocerca volvulus	Cathepsin L homolog	0.0225	0.2858	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0151	0.179	0.3639
Brugia malayi	Protein kinase domain containing protein	0.009	0.0928	0.1878
Giardia lamblia	Kinase, CMGC MAPK	0.006	0.0487	0.0559
Trypanosoma brucei	protein kinase, putative	0.006	0.0487	0.0559
Leishmania major	protein kinase, putative	0.0368	0.4909	1
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.012	0.1345	0.1339
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.006	0.0487	0.0559
Echinococcus granulosus	mitogen activated protein kinase 3	0.006	0.0487	0.0481
Echinococcus granulosus	cathepsin L	0.0042	0.0225	0.0219
Brugia malayi	cytochrome P450	0.0045	0.0269	0.0535
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0042	0.0225	0.0219
Brugia malayi	Cathepsin L-like precursor	0.0225	0.2858	0.5816
Echinococcus granulosus	cathepsin l1	0.0151	0.179	0.1785
Onchocerca volvulus	Cathepsin L homolog	0.0225	0.2858	1
Echinococcus granulosus	dual specificity	0.009	0.0928	0.0921
Brugia malayi	Cathepsin L-like precursor	0.0225	0.2858	0.5816
Echinococcus multilocularis	cysteine protease	0.0225	0.2858	0.2853
Brugia malayi	Papain family cysteine protease containing protein	0.0042	0.0225	0.0445
Schistosoma mansoni	serine/threonine protein kinase	0.006	0.0487	0.0481
Loa Loa (eye worm)	cytochrome P450 family protein	0.0072	0.0663	0.1351
Echinococcus granulosus	cathepsin b	0.0042	0.0225	0.0219
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0072	0.0663	0.3659
Trypanosoma cruzi	cysteine peptidase, putative	0.0074	0.0697	0.1007
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0225	0.2858	0.2853
Echinococcus multilocularis	cathepsin L cysteine protease	0.0225	0.2858	0.2853
Leishmania major	protein kinase, putative	0.0368	0.4909	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.2858	0.5621
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.2176	0.4165
Entamoeba histolytica	cysteine proteinase, putative	0.0116	0.1292	0.4054
Echinococcus granulosus	cathepsin l1	0.0225	0.2858	0.2853
Brugia malayi	Papain family cysteine protease containing protein	0.0225	0.2858	0.5816
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0042	0.0225	0.0219
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.2858	0.5621
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0042	0.0225	0.0219
Brugia malayi	Cytochrome P450 family protein	0.0072	0.0663	0.1339
Brugia malayi	cathepsin L-like cysteine proteinase	0.0042	0.0225	0.0445
Entamoeba histolytica	cysteine protease, putative	0.0116	0.1292	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0042	0.0225	0.0219
Echinococcus granulosus	cathepsin L	0.0116	0.1292	0.1286
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0042	0.0225	0.0219
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.2176	0.4165
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.2858	0.5621
Giardia lamblia	Kinase, CMGC CLK	0.0368	0.4909	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0116	0.1292	0.2279
Loa Loa (eye worm)	fibroinase	0.0225	0.2858	0.5822
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0045	0.0269	0.0094
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.2858	0.5621
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.2858	0.5621
Loa Loa (eye worm)	hypothetical protein	0.0225	0.2858	0.5822
Leishmania major	cathepsin L-like protease	0.0225	0.2858	0.5621
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0225	0.2858	0.2853
Brugia malayi	follicle stimulating hormone receptor	0.0243	0.311	0.6331
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0042	0.0225	0.0219
Leishmania major	cytochrome p450-like protein	0.0045	0.0269	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0225	0.0459
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.006	0.0487	0.0559
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0225	0.0459
Plasmodium vivax	unspecified product	0.0074	0.0697	0.1007
Entamoeba histolytica	cysteine protease, putative	0.0116	0.1292	0.4054
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.009	0.0928	0.15
Plasmodium vivax	vivapain-2	0.0225	0.2858	0.5621
Trichomonas vaginalis	glucosylceramidase, putative	0.027	0.3511	0.7015
Schistosoma mansoni	cathepsin C	0.0042	0.0225	0.0219
Brugia malayi	cathepsin L-like precursor	0.0151	0.179	0.3639
Entamoeba histolytica	cysteine proteinase, putative	0.0225	0.2858	1
Echinococcus multilocularis	cathepsin L	0.0116	0.1292	0.1286
Brugia malayi	Papain family cysteine protease containing protein	0.0116	0.1292	0.2623
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0225	0.0459
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.2858	0.5621
Trypanosoma cruzi	cysteine peptidase, putative	0.0225	0.2858	0.5621
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0151	0.179	0.3342
Mycobacterium leprae	putative cytochrome p450	0.0045	0.0269	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0225	0.2858	0.5621
Echinococcus granulosus	cathepsin L cysteine protease	0.0116	0.1292	0.1286
Echinococcus multilocularis	mitogen activated protein kinase 3	0.006	0.0487	0.0481
Entamoeba histolytica	cysteine proteinase, putative	0.0116	0.1292	0.4054
Loa Loa (eye worm)	cytochrome P450 family protein	0.0072	0.0663	0.1351
Entamoeba histolytica	cysteine proteinase 2	0.0116	0.1292	0.4054
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0368	0.4909	1
Brugia malayi	cathepsin L precursor	0.0042	0.0225	0.0445
Onchocerca volvulus		0.0225	0.2858	1
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0045	0.0269	0.0094
Schistosoma mansoni	microtubule-associated protein tau	0.0723	1	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0042	0.0225	0.0219
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.006	0.0487	0.0559
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.2858	0.5621
Trypanosoma brucei	cytochrome P450, putative	0.0072	0.0663	0.0935
Toxoplasma gondii	cathepsin CPL	0.0225	0.2858	0.5621
Schistosoma mansoni	cathepsin S (C01 family)	0.0042	0.0225	0.0219
Brugia malayi	cathepsin F-like cysteine proteinase	0.0074	0.0697	0.1407
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.2176	0.4165
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0042	0.0225	0.0219
Entamoeba histolytica	cysteine protease, putative	0.0116	0.1292	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0074	0.0697	0.1419
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.012	0.1345	0.1339
Onchocerca volvulus		0.0225	0.2858	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.2858	0.5621
Onchocerca volvulus		0.0042	0.0225	0.0766
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0042	0.0225	0.0459
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0007	0.0014
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0368	0.4909	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0042	0.0225	0.0445
Echinococcus granulosus	cysteine protease	0.0116	0.1292	0.1286
Trichomonas vaginalis	glucosylceramidase, putative	0.0187	0.2313	0.4458
Echinococcus multilocularis	dual specificity	0.009	0.0928	0.0921
Echinococcus multilocularis	mitogen activated protein kinase	0.006	0.0487	0.0481
Loa Loa (eye worm)	hypothetical protein	0.0151	0.179	0.3648
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0042	0.0225	0.0219

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 483	Inhibition of MAG N-terminal three domains expressed in CHO cells relative to Gal-beta(1-3)-GalNAc-OSE	ChEMBL.	17507233
Activity (binding)	= 483	Inhibition of MAG N-terminal three domains expressed in CHO cells relative to Gal-beta(1-3)-GalNAc-OSE	ChEMBL.	17507233
Kd (binding)	= 33.9 uM	Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis	ChEMBL.	20095613

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: CHEMBL391051

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 451941