TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 424.423 | Formula: C22H16O7S
H donors: 1 H acceptors: 5 LogP: 3.32 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1c(OC)cccc1c1ccc2c(c1)S(=O)(=O)c1c(C2=O)c(ccc1)C(=O)O
InChi: 1S/C22H16O7S/c1-28-16-7-3-5-13(21(16)29-2)12-9-10-14-18(11-12)30(26,27)17-8-4-6-15(22(24)25)19(17)20(14)23/h3-11H,1-2H3,(H,24,25)
InChiKey: MMXYNMMYDGLDOY-UHFFFAOYSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Giardia lamblia	Cathepsin L-like protease	0.0184	0.1502	0.3133
Giardia lamblia	Cysteine protease	0.0184	0.1502	0.3133
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0184	0.1502	0.1502
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0184	0.1502	0.1502
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0885	0.8892	1
Giardia lamblia	Hypothetical protein	0.0184	0.1502	0.3133
Entamoeba histolytica	cysteine proteinase, putative	0.0885	0.8892	1
Entamoeba histolytica	cysteine protease, putative	0.0468	0.4498	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0184	0.1502	0.1396
Brugia malayi	Papain family cysteine protease containing protein	0.0468	0.4498	0.4498
Entamoeba histolytica	cysteine protease, putative	0.0468	0.4498	0.4054
Onchocerca volvulus		0.0885	0.8892	1
Leishmania major	cathepsin L-like protease	0.0885	0.8892	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0184	0.1502	0.1396
Brugia malayi	Papain family cysteine protease containing protein	0.0184	0.1502	0.1502
Echinococcus granulosus	calpain A	0.0063	0.0235	0.0005
Brugia malayi	Papain family cysteine protease containing protein	0.0184	0.1502	0.1502
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0468	0.4498	0.0772
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0885	0.8892	1
Onchocerca volvulus		0.0885	0.8892	1
Brugia malayi	cathepsin L precursor	0.0184	0.1502	0.1502
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0063	0.023	0.023
Onchocerca volvulus	Cathepsin L homolog	0.0885	0.8892	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0184	0.1502	0.1502
Giardia lamblia	Cathepsin L precursor	0.0184	0.1502	0.3133
Echinococcus multilocularis	Transglutaminase	0.007	0.0303	0.0074
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0063	0.023	0.023
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0184	0.1502	0.1502
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1502	0.1502
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0201	0.0201
Mycobacterium tuberculosis	Hypothetical protein	0.007	0.0303	0.5
Echinococcus granulosus	cysteine protease	0.0468	0.4498	0.4368
Giardia lamblia	Encystation-specific protease	0.0184	0.1502	0.3133
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0184	0.1502	0.1396
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0054	0.0134	0.0134
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0184	0.1502	0.1396
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0885	0.8892	0.8892
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0184	0.1502	0.1502
Brugia malayi	fibroinase precursor	0.0184	0.1502	0.1502
Schistosoma mansoni	cathepsin F (C01 family)	0.0885	0.8892	0.8892
Mycobacterium ulcerans	putative transglutaminase-like protein	0.007	0.0303	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0885	0.8892	1
Echinococcus multilocularis	calpain A	0.0063	0.0235	0.0005
Onchocerca volvulus		0.0885	0.8892	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0284	0.2563	0.2563
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0069	0.0069
Echinococcus granulosus	cathepsin l1	0.0885	0.8892	0.8866
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0885	0.8892	1
Giardia lamblia	Cathepsin L precursor	0.0184	0.1502	0.3133
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0885	0.8892	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0885	0.8892	1
Loa Loa (eye worm)	hypothetical protein	0.0601	0.5896	0.5896
Schistosoma mansoni	cathepsin F (C01 family)	0.0885	0.8892	0.8892
Loa Loa (eye worm)	hypothetical protein	0.0601	0.5896	0.5896
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0885	0.8892	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0885	0.8892	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0201	0.0201
Giardia lamblia	Cathepsin B precursor	0.0184	0.1502	0.3133
Entamoeba histolytica	cysteine proteinase, putative	0.0601	0.5896	0.5946
Brugia malayi	Cathepsin L-like precursor	0.0885	0.8892	0.8892
Giardia lamblia	Cathepsin L precursor	0.0184	0.1502	0.3133
Brugia malayi	Papain family cysteine protease containing protein	0.0885	0.8892	0.8892
Echinococcus granulosus	cathepsin L cysteine protease	0.0468	0.4498	0.4368
Brugia malayi	Cathepsin L-like precursor	0.0885	0.8892	0.8892
Trypanosoma cruzi	cysteine peptidase, putative	0.0885	0.8892	0.8696
Giardia lamblia	Cathepsin B-like cysteine proteinase 3 precursor	0.0184	0.1502	0.3133
Brugia malayi	Cathepsin L-like precursor	0.0885	0.8892	0.8892
Plasmodium vivax	vivapain-2	0.0885	0.8892	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0201	0.0201
Brugia malayi	Papain family cysteine protease containing protein	0.0184	0.1502	0.1502
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0885	0.8892	0.8866
Entamoeba histolytica	cysteine proteinase, putative	0.0885	0.8892	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0601	0.5896	0.5896
Entamoeba histolytica	cysteine proteinase, putative	0.0468	0.4498	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0885	0.8892	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0184	0.1502	0.1396
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0468	0.4498	0.4498
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0885	0.8892	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0284	0.2563	0.1248
Leishmania major	cathepsin L-like protease	0.0885	0.8892	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0885	0.8892	1
Plasmodium vivax	unspecified product	0.0284	0.2563	0.1435
Trypanosoma cruzi	cysteine proteinase, putative	0.0468	0.4498	0.3525
Entamoeba histolytica	cysteine proteinase 1, putative	0.0468	0.4498	0.4054
Giardia lamblia	Cysteine protease	0.0184	0.1502	0.3133
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0601	0.5896	0.6512
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0885	0.8892	1
Echinococcus granulosus	Transglutaminase	0.007	0.0303	0.0074
Schistosoma mansoni	hypothetical protein	0.007	0.0303	0.0303
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0885	0.8892	1
Echinococcus multilocularis	cysteine protease	0.0885	0.8892	0.8866
Echinococcus granulosus	cathepsin l1	0.0601	0.5896	0.5799
Trypanosoma cruzi	cysteine peptidase, putative	0.0284	0.2563	0.1248
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0601	0.5896	0.5171
Trypanosoma cruzi	cysteine peptidase, putative	0.0885	0.8892	0.8696
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1502	0.1502
Echinococcus granulosus	cathepsin L	0.0184	0.1502	0.1302
Leishmania major	cathepsin L-like protease	0.0885	0.8892	1
Loa Loa (eye worm)	calpain family protein 1	0.0054	0.0134	0.0134
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0433	0.413	0.4456
Trypanosoma cruzi	cysteine proteinase, putative	0.0468	0.4498	0.3525
Giardia lamblia	Cathepsin L-like protease	0.0184	0.1502	0.3133
Loa Loa (eye worm)	cysteine protease	0.0885	0.8892	0.8892
Entamoeba histolytica	cysteine protease, putative	0.0468	0.4498	0.4054
Toxoplasma gondii	cathepsin CPL	0.0885	0.8892	1
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0184	0.1502	0.1502
Giardia lamblia	Cathepsin B precursor	0.0433	0.413	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0885	0.8892	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0184	0.1502	0.1502
Brugia malayi	Thioredoxin family protein	0.007	0.0303	0.0303
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0184	0.1502	0.1396
Entamoeba histolytica	cysteine protease, putative	0.0885	0.8892	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0885	0.8892	1
Entamoeba histolytica	cysteine protease, putative	0.0468	0.4498	0.4054
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0433	0.413	0.3093
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0184	0.1502	0.1502
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0885	0.8892	0.8892
Toxoplasma gondii	cathepsin B	0.0433	0.413	0.3557
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0885	0.8892	1
Onchocerca volvulus		0.0885	0.8892	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0184	0.1502	0.1396
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0885	0.8892	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.007	0.0303	0.5
Giardia lamblia	Cathepsin B precursor	0.0184	0.1502	0.3133
Giardia lamblia	Cysteine protease	0.0184	0.1502	0.3133
Mycobacterium leprae	Conserved hypothetical protein	0.007	0.0303	0.5
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0468	0.4498	0.4498
Loa Loa (eye worm)	hypothetical protein	0.0284	0.2563	0.2563
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0468	0.4498	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.0468	0.4498	0.4498
Brugia malayi	Cathepsin L-like precursor	0.0885	0.8892	0.8892
Entamoeba histolytica	cysteine protease, putative	0.0468	0.4498	0.4054
Brugia malayi	calpain family protein 1	0.0054	0.0134	0.0134
Entamoeba histolytica	cysteine protease, putative	0.0468	0.4498	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0184	0.1502	0.1396
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0184	0.1502	0.1396
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1502	0.1502
Entamoeba histolytica	cysteine protease, putative	0.0468	0.4498	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.0601	0.5896	0.5896
Entamoeba histolytica	cysteine proteinase, putative	0.0468	0.4498	0.4054
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0184	0.1502	0.1502
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0184	0.1502	0.1502
Giardia lamblia	Cathepsin L precursor	0.0184	0.1502	0.3133
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0184	0.1502	0.3133
Brugia malayi	Cathepsin L-like precursor	0.0885	0.8892	0.8892
Brugia malayi	cathepsin L-like cysteine proteinase	0.0184	0.1502	0.1502
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0468	0.4498	0.4498
Leishmania major	cathepsin L-like protease	0.0885	0.8892	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0184	0.1502	0.1396
Schistosoma mansoni	cathepsin s	0.0284	0.2563	0.2563
Entamoeba histolytica	cysteine proteinase, putative	0.0468	0.4498	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0885	0.8892	1
Plasmodium vivax	vivapain-2	0.0885	0.8892	1
Brugia malayi	Cathepsin L-like precursor	0.0601	0.5896	0.5896
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0885	0.8892	0.8866
Schistosoma mansoni	cathepsin C	0.0184	0.1502	0.1502
Giardia lamblia	Hypothetical protein	0.0184	0.1502	0.3133
Brugia malayi	Cathepsin L-like precursor	0.0885	0.8892	0.8892
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0885	0.8892	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0184	0.1502	0.1502
Loa Loa (eye worm)	hypothetical protein	0.0284	0.2563	0.2563
Mycobacterium ulcerans	hypothetical protein	0.007	0.0303	0.5
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0885	0.8892	0.8866
Loa Loa (eye worm)	hypothetical protein	0.0885	0.8892	0.8892
Giardia lamblia	Cathepsin B precursor	0.0433	0.413	1
Entamoeba histolytica	cysteine protease, putative	0.0468	0.4498	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0885	0.8892	1
Leishmania major	cathepsin L-like protease	0.0885	0.8892	1
Onchocerca volvulus	Cathepsin F homolog	0.0885	0.8892	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0885	0.8892	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0885	0.8892	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0184	0.1502	0.1396
Plasmodium vivax	vivapain-1	0.0468	0.4498	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0601	0.5896	0.5896
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0885	0.8892	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0201	0.0201
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0885	0.8892	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0284	0.2563	0.2563
Entamoeba histolytica	cysteine protease, putative	0.0468	0.4498	0.4054
Plasmodium vivax	unspecified product	0.0468	0.4498	0.4054
Brugia malayi	cathepsin F-like cysteine proteinase	0.0284	0.2563	0.2563
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0184	0.1502	0.1502
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0885	0.8892	1
Giardia lamblia	Cathepsin B precursor	0.0433	0.413	1
Schistosoma mansoni	cathepsin B (C01 family)	0.0184	0.1502	0.1502
Onchocerca volvulus		0.0885	0.8892	1
Entamoeba histolytica	cysteine protease, putative	0.0468	0.4498	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0885	0.8892	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0184	0.1502	0.1502
Entamoeba histolytica	cysteine proteinase 2	0.0468	0.4498	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0885	0.8892	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0184	0.1502	0.1396
Mycobacterium tuberculosis	Conserved hypothetical protein	0.007	0.0303	0.5
Echinococcus granulosus	cathepsin L	0.0468	0.4498	0.4368
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0885	0.8892	1
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1502	0.1502
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0885	0.8892	1
Schistosoma mansoni	cathepsin S (C01 family)	0.0184	0.1502	0.1502
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0885	0.8892	1
Trypanosoma cruzi	cysteine protease, putative	0.0468	0.4498	0.3525
Echinococcus multilocularis	cathepsin L cysteine protease	0.0885	0.8892	0.8866
Onchocerca volvulus		0.0885	0.8892	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0184	0.1502	0.3133
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0184	0.1502	0.1396
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0184	0.1502	0.1396
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1502	0.1502
Giardia lamblia	Cathepsin B precursor	0.0184	0.1502	0.3133
Trypanosoma cruzi	cysteine peptidase, putative	0.0885	0.8892	0.8696
Brugia malayi	calpain family protein 1	0.0054	0.0134	0.0134
Mycobacterium tuberculosis	Conserved protein	0.007	0.0303	0.5
Loa Loa (eye worm)	ctsf protein	0.0885	0.8892	0.8892
Giardia lamblia	Cathepsin L precursor	0.0184	0.1502	0.3133
Onchocerca volvulus		0.0243	0.2129	0.0848
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0885	0.8892	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0184	0.1502	0.1502
Echinococcus multilocularis	cysteine protease	0.0885	0.8892	0.8866
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0885	0.8892	1
Loa Loa (eye worm)	hypothetical protein	0.0601	0.5896	0.5896
Echinococcus multilocularis	cathepsin L cysteine protease	0.0885	0.8892	0.8866
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0184	0.1502	0.1396
Leishmania major	cysteine peptidase A (CPA)	0.0885	0.8892	1
Trichomonas vaginalis	conserved hypothetical protein	0.0184	0.1502	0.1396
Onchocerca volvulus		0.0885	0.8892	1
Mycobacterium tuberculosis	Long conserved protein	0.007	0.0303	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0885	0.8892	1
Loa Loa (eye worm)	cathepsin B	0.0433	0.413	0.413
Giardia lamblia	Cathepsin B precursor	0.0184	0.1502	0.3133
Loa Loa (eye worm)	fibroinase	0.0885	0.8892	0.8892
Echinococcus multilocularis	cathepsin L	0.0184	0.1502	0.1302
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0184	0.1502	0.3133
Mycobacterium ulcerans	transglutaminase family protein	0.007	0.0303	0.5
Giardia lamblia	Cathepsin B precursor	0.0184	0.1502	0.3133
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0468	0.4498	0.3525
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0885	0.8892	1
Giardia lamblia	Cysteine protease	0.0184	0.1502	0.3133
Entamoeba histolytica	cysteine protease, putative	0.0468	0.4498	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0284	0.2563	0.2563
Entamoeba histolytica	cysteine proteinase, putative	0.0468	0.4498	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0885	0.8892	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0601	0.5896	0.6512
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0885	0.8892	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0433	0.413	0.413
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0885	0.8892	1
Echinococcus multilocularis	cathepsin L	0.0468	0.4498	0.4368
Mycobacterium leprae	Conserved hypothetical protein	0.007	0.0303	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0468	0.4498	0.4884
Onchocerca volvulus		0.0601	0.5896	0.5946
Leishmania major	cathepsin L-like protease	0.0885	0.8892	1
Brugia malayi	cathepsin L-like precursor	0.0601	0.5896	0.5896
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0885	0.8892	1
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1502	0.1502
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0468	0.4498	0.4884
Trypanosoma cruzi	cysteine peptidase, putative	0.0885	0.8892	0.8696
Loa Loa (eye worm)	hypothetical protein	0.0284	0.2563	0.2563
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0184	0.1502	0.1396
Plasmodium vivax	vivapain-3	0.0468	0.4498	0.4054
Leishmania major	cathepsin L-like protease	0.0885	0.8892	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0885	0.8892	0.8866
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0184	0.1502	0.1502
Entamoeba histolytica	cysteine protease, putative	0.0468	0.4498	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0184	0.1502	0.1396
Leishmania major	cathepsin L-like protease	0.0885	0.8892	1
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0184	0.1502	0.1502
Trypanosoma cruzi	cysteine peptidase, putative	0.0468	0.4498	0.3525
Trichomonas vaginalis	conserved hypothetical protein	0.0184	0.1502	0.1396
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0468	0.4498	0.0772
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0885	0.8892	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0885	0.8892	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0134	0.0134
Giardia lamblia	Cathepsin L precursor	0.0184	0.1502	0.3133
Trypanosoma cruzi	cruzipain precursor, putative	0.0885	0.8892	0.8696
Entamoeba histolytica	cysteine protease, putative	0.0468	0.4498	0.4054
Mycobacterium ulcerans	hypothetical protein	0.007	0.0303	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0828 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	6.5733 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	30.1313 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	100 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1516167

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1396627