TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 586.64 | Formula: C31H27FN4O5S
H donors: 4 H acceptors: 4 LogP: 4.66 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O/N=C(\c1ccc(cc1)c1ccc(cc1)C1(C)OC(=C(C1)S(=O)(=O)c1ccc(cc1)F)c1ccc(cc1)/C(=N\O)/N)/N
InChi: 1S/C31H27FN4O5S/c1-31(24-12-10-20(11-13-24)19-2-6-22(7-3-19)29(33)35-37)18-27(42(39,40)26-16-14-25(32)15-17-26)28(41-31)21-4-8-23(9-5-21)30(34)36-38/h2-17,37-38H,18H2,1H3,(H2,33,35)(H2,34,36)
InChiKey: HWEPTUTWXQFEIW-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

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
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.00172408	0.00168479	0.5
Entamoeba histolytica	cysteine protease, putative	0.0219777	0.182367	0.180987
Onchocerca volvulus		0.113631	1	1
Giardia lamblia	Cysteine protease	0.0219777	0.182367	0.620917
Giardia lamblia	Cathepsin B precursor	0.034343	0.292677	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0219777	0.182367	0.180987
Schistosoma mansoni	cathepsin B (C01 family)	0.0219777	0.182367	0.180987
Onchocerca volvulus		0.113631	1	1
Plasmodium falciparum	serine repeat antigen 1	0.0219777	0.182367	0.180987
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.113631	1	1
Entamoeba histolytica	cysteine proteinase 2	0.0591343	0.51384	0.513019
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0219777	0.182367	0.180987
Entamoeba histolytica	cysteine protease, putative	0.0219777	0.182367	0.180987
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.034343	0.292677	0.291483
Plasmodium falciparum	serine repeat antigen 4	0.0219777	0.182367	0.180987
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.034343	0.292677	0.292421
Entamoeba histolytica	cysteine protease, putative	0.0591343	0.51384	0.513019
Entamoeba histolytica	cysteine protease, putative	0.0219777	0.182367	0.180987
Loa Loa (eye worm)	hypothetical protein	0.0219777	0.182367	0.180987
Loa Loa (eye worm)	hypothetical protein	0.0219777	0.182367	0.180987
Giardia lamblia	Cathepsin L precursor	0.0219777	0.182367	0.620917
Schistosoma mansoni	cathepsin F (C01 family)	0.113631	1	1
Loa Loa (eye worm)	hypothetical protein	0.0219777	0.182367	0.180987
Plasmodium falciparum	serine repeat antigen 6	0.0219777	0.182367	0.180987
Plasmodium falciparum	serine repeat antigen 7	0.0219777	0.182367	0.180987
Entamoeba histolytica	cysteine protease, putative	0.0591343	0.51384	0.513019
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0219777	0.182367	0.180987
Entamoeba histolytica	cysteine proteinase, putative	0.0591343	0.51384	0.513019
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.034343	0.292677	0.291483
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0591343	0.51384	0.513019
Brugia malayi	Cathepsin L-like precursor	0.113631	1	1
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0219777	0.182367	0.180987
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0219777	0.182367	0.182071
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0219777	0.182367	0.180987
Trypanosoma cruzi	major cysteine proteinase, putative	0.0219777	0.182367	0.180987
Onchocerca volvulus		0.113631	1	1
Onchocerca volvulus		0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.113631	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0216387	0.179342	0.177957
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.113631	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0764741	0.668527	0.667968
Echinococcus granulosus	cathepsin l1	0.0764741	0.668527	0.667968
Loa Loa (eye worm)	hypothetical protein	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.113631	1	1
Brugia malayi	cathepsin L-like precursor	0.0764741	0.668527	0.667968
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0219777	0.182367	0.180987
Giardia lamblia	Cathepsin L precursor	0.0219777	0.182367	0.620917
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0219777	0.182367	0.182071
Echinococcus granulosus	raf serine:threonine protein kinase	0.0187171	0.153279	0.15185
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.113631	1	1
Giardia lamblia	Cathepsin L precursor	0.0219777	0.182367	0.620917
Leishmania major	cathepsin L-like protease	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.113631	1	1
Brugia malayi	Protein kinase domain containing protein	0.0216387	0.179342	0.177957
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0591343	0.51384	0.513019
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.113631	1	1
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0219777	0.182367	0.180987
Echinococcus multilocularis	cathepsin L	0.0219777	0.182367	0.180987
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0219777	0.182367	0.182071
Loa Loa (eye worm)	TKL/RAF/RAF protein kinase	0.0106121	0.0809747	0.0794237
Entamoeba histolytica	cysteine protease, putative	0.0219777	0.182367	0.180987
Entamoeba histolytica	cysteine protease, putative	0.0219777	0.182367	0.180987
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.113631	1	1
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0219777	0.182367	0.180987
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0219777	0.182367	0.180987
Giardia lamblia	Cathepsin L precursor	0.0219777	0.182367	0.620917
Brugia malayi	cathepsin F-like cysteine proteinase	0.0371566	0.317777	0.316626
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.113631	1	1
Plasmodium falciparum	serine repeat antigen 8	0.0219777	0.182367	0.180987
Giardia lamblia	Cathepsin L-like protease	0.0219777	0.182367	0.620917
Echinococcus multilocularis	cysteine protease	0.113631	1	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0219777	0.182367	0.182071
Giardia lamblia	Cathepsin B precursor	0.0219777	0.182367	0.620917
Plasmodium vivax	vivapain-2	0.113631	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.113631	1	1
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0219777	0.182367	0.180987
Giardia lamblia	Cathepsin B-like cysteine proteinase 3 precursor	0.0219777	0.182367	0.620917
Entamoeba histolytica	cysteine protease, putative	0.0591343	0.51384	0.513019
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0219777	0.182367	0.180987
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0764741	0.668527	0.668407
Entamoeba histolytica	cysteine proteinase, putative	0.113631	1	1
Entamoeba histolytica	cysteine protease, putative	0.0591343	0.51384	0.513019
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0520525	0.450663	0.449736
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.113631	1	1
Loa Loa (eye worm)	hypothetical protein	0.0764741	0.668527	0.667968
Loa Loa (eye worm)	fibroinase	0.113631	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0219777	0.182367	0.180987
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0591343	0.51384	0.513019
Echinococcus multilocularis	cathepsin b	0.0520525	0.450663	0.449736
Onchocerca volvulus	Cathepsin F homolog	0.113631	1	1
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0219777	0.182367	0.180987
Leishmania major	cathepsin L-like protease	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0219777	0.182367	0.182071
Trichomonas vaginalis	conserved hypothetical protein	0.0219777	0.182367	0.182071
Loa Loa (eye worm)	hypothetical protein	0.0764741	0.668527	0.667968
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0219777	0.182367	0.180987
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.113631	1	1
Toxoplasma gondii	cathepsin CPL	0.113631	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0591343	0.51384	0.513019
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.113631	1	1
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.00172408	0.00168479	0.00132409
Trypanosoma cruzi	cysteine peptidase, putative	0.113631	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0219777	0.182367	0.180987
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0219777	0.182367	0.180987
Brugia malayi	Papain family cysteine protease containing protein	0.0591343	0.51384	0.513019
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.113631	1	1
Brugia malayi	Cathepsin L-like precursor	0.0764741	0.668527	0.667968
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0219777	0.182367	0.620917
Brugia malayi	Papain family cysteine protease containing protein	0.113631	1	1
Plasmodium falciparum	serine repeat antigen 2	0.0219777	0.182367	0.180987
Entamoeba histolytica	cysteine protease, putative	0.113631	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.113631	1	1
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0219777	0.182367	0.180987
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0371566	0.317777	0.316626
Trypanosoma cruzi	cysteine peptidase, putative	0.0591343	0.51384	0.513019
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.113631	1	1
Entamoeba histolytica	cysteine protease, putative	0.0219777	0.182367	0.180987
Plasmodium vivax	unspecified product	0.0371566	0.317777	0.316626
Leishmania major	cysteine peptidase A (CPA)	0.113631	1	1
Loa Loa (eye worm)	hypothetical protein	0.0371566	0.317777	0.316626
Entamoeba histolytica	cysteine proteinase, putative	0.0591343	0.51384	0.513019
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0219777	0.182367	0.180987
Trypanosoma cruzi	cysteine proteinase, putative	0.0591343	0.51384	0.513019
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.00153523	0	0.5
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0219777	0.182367	0.180987
Giardia lamblia	Cathepsin B precursor	0.0219777	0.182367	0.620917
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0219777	0.182367	0.180987
Echinococcus granulosus	cathepsin L	0.0591343	0.51384	0.513019
Echinococcus multilocularis	cathepsin L cysteine protease	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0591343	0.51384	0.513664
Brugia malayi	Raf kinase	0.0180644	0.147456	0.146017
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0591343	0.51384	0.513019
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0219777	0.182367	0.180987
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.034343	0.292677	0.291483
Loa Loa (eye worm)	hypothetical protein	0.0219777	0.182367	0.180987
Echinococcus granulosus	cysteine protease	0.0591343	0.51384	0.513019
Entamoeba histolytica	cysteine protease, putative	0.0591343	0.51384	0.513019
Brugia malayi	Cathepsin L-like precursor	0.0764741	0.668527	0.667968
Giardia lamblia	Encystation-specific protease	0.0219777	0.182367	0.620917
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0219777	0.182367	0.182071
Echinococcus granulosus	cathepsin L	0.0219777	0.182367	0.180987
Plasmodium falciparum	serine repeat antigen 3	0.0219777	0.182367	0.180987
Echinococcus multilocularis	cathepsin b	0.0520525	0.450663	0.449736
Entamoeba histolytica	cysteine proteinase, putative	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0219777	0.182367	0.182071
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.113631	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0520525	0.450663	0.449736
Plasmodium falciparum	serine repeat antigen 9	0.0219777	0.182367	0.180987
Entamoeba histolytica	cysteine protease, putative	0.0591343	0.51384	0.513019
Echinococcus granulosus	cathepsin l1	0.113631	1	1
Loa Loa (eye worm)	hypothetical protein	0.0520525	0.450663	0.449736
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0219777	0.182367	0.620917
Giardia lamblia	Cathepsin L precursor	0.0219777	0.182367	0.620917
Onchocerca volvulus	Cathepsin L homolog	0.113631	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.113631	1	1
Loa Loa (eye worm)	cathepsin B	0.034343	0.292677	0.291483
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0219777	0.182367	0.182071
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.113631	1	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0219777	0.182367	0.620917
Brugia malayi	Cathepsin L-like precursor	0.0371566	0.317777	0.316626
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.113631	1	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.113631	1	1
Entamoeba histolytica	cysteine protease, putative	0.0591343	0.51384	0.513019
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0520525	0.450663	0.449736
Giardia lamblia	Cathepsin L-like protease	0.0219777	0.182367	0.620917
Entamoeba histolytica	cysteine protease, putative	0.0591343	0.51384	0.513019
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.113631	1	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0219777	0.182367	0.180987
Trypanosoma cruzi	cysteine peptidase, putative	0.113631	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.113631	1	1
Toxoplasma gondii	cathepsin CPC2	0.0219777	0.182367	0.180987
Trypanosoma brucei	cysteine peptidase C (CPC)	0.034343	0.292677	0.291483
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0219777	0.182367	0.180987
Onchocerca volvulus	Cathepsin L homolog	0.113631	1	1
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0219777	0.182367	0.180987
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0591343	0.51384	0.513019
Brugia malayi	Cathepsin L-like precursor	0.113631	1	1
Toxoplasma gondii	cathepsin CPC1	0.0219777	0.182367	0.180987
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0219777	0.182367	0.182071
Plasmodium vivax	serine-repeat antigen (SERA)	0.0219777	0.182367	0.180987
Brugia malayi	Cathepsin L-like precursor	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0591343	0.51384	0.513664
Onchocerca volvulus		0.0764741	0.668527	0.594595
Brugia malayi	Cathepsin L-like precursor	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.113631	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0371566	0.317777	0.316626
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.113631	1	1
Echinococcus multilocularis	cysteine protease	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0219777	0.182367	0.182071
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.113631	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0219777	0.182367	0.180987
Entamoeba histolytica	hypothetical protein	0.0219777	0.182367	0.180987
Entamoeba histolytica	cysteine protease, putative	0.0591343	0.51384	0.513019
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0219777	0.182367	0.182071
Entamoeba histolytica	cysteine protease, putative	0.0591343	0.51384	0.513019
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.113631	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0371566	0.317777	0.316626
Giardia lamblia	Cathepsin B precursor	0.034343	0.292677	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0591343	0.51384	0.513019
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0219777	0.182367	0.182071
Echinococcus multilocularis	cathepsin L cysteine protease	0.113631	1	1
Brugia malayi	cathepsin L-like cysteine proteinase	0.0219777	0.182367	0.180987
Brugia malayi	Cathepsin L-like precursor	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0219777	0.182367	0.182071
Trypanosoma cruzi	cysteine peptidase, putative	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.113631	1	1
Giardia lamblia	Cysteine protease	0.0219777	0.182367	0.620917
Entamoeba histolytica	cysteine proteinase, putative	0.0764741	0.668527	0.667968
Plasmodium vivax	serine-repeat antigen (SERA)	0.0219777	0.182367	0.180987
Echinococcus granulosus	cathepsin b	0.0520525	0.450663	0.449736
Onchocerca volvulus		0.113631	1	1
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0219777	0.182367	0.180987
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0219777	0.182367	0.180987
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0219777	0.182367	0.180987
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0520525	0.450663	0.449736
Echinococcus granulosus	cathepsin b	0.0520525	0.450663	0.449736
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0219777	0.182367	0.180987
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.113631	1	1
Plasmodium vivax	vivapain-1	0.0591343	0.51384	0.513019
Entamoeba histolytica	cysteine proteinase, putative	0.0591343	0.51384	0.513019
Schistosoma mansoni	cathepsin S (C01 family)	0.0219777	0.182367	0.180987
Echinococcus granulosus	cathepsin L cysteine protease	0.0591343	0.51384	0.513019
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.113631	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.113631	1	1
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0187171	0.153279	0.15185
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0219777	0.182367	0.180987
Brugia malayi	fibroinase precursor	0.0219777	0.182367	0.180987
Leishmania major	cathepsin L-like protease	0.113631	1	1
Giardia lamblia	Cathepsin B precursor	0.0219777	0.182367	0.620917
Giardia lamblia	Cysteine protease	0.0219777	0.182367	0.620917
Onchocerca volvulus		0.113631	1	1
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0219777	0.182367	0.180987
Brugia malayi	cathepsin B-like cysteine proteinase	0.0520525	0.450663	0.449736
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.113631	1	1
Giardia lamblia	Cysteine protease	0.0219777	0.182367	0.620917
Giardia lamblia	Cathepsin B precursor	0.0219777	0.182367	0.620917
Toxoplasma gondii	cathepsin B	0.034343	0.292677	0.291483
Brugia malayi	Cathepsin L-like precursor	0.113631	1	1
Giardia lamblia	Cathepsin L precursor	0.0219777	0.182367	0.620917
Entamoeba histolytica	cysteine protease, putative	0.0591343	0.51384	0.513019
Loa Loa (eye worm)	hypothetical protein	0.0219777	0.182367	0.180987
Leishmania major	cathepsin L-like protease	0.113631	1	1
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.00172408	0.00168479	1
Echinococcus multilocularis	cathepsin L	0.0591343	0.51384	0.513019
Giardia lamblia	Hypothetical protein	0.0219777	0.182367	0.620917
Schistosoma mansoni	serine/threonine protein kinase	0.0187171	0.153279	0.15185
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0219777	0.182367	0.180987
Trichomonas vaginalis	conserved hypothetical protein	0.0219777	0.182367	0.182071
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.113631	1	1
Leishmania major	cathepsin L-like protease	0.113631	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0219777	0.182367	0.180987
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0219777	0.182367	0.180987
Brugia malayi	cathepsin L precursor	0.0219777	0.182367	0.180987
Loa Loa (eye worm)	raf kinase	0.0186258	0.152465	0.151034
Chlamydia trachomatis	lysine--tRNA ligase	0.00172408	0.00168479	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0219777	0.182367	0.182071
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.113631	1	1
Loa Loa (eye worm)	hypothetical protein	0.0219777	0.182367	0.180987
Loa Loa (eye worm)	hypothetical protein	0.0371566	0.317777	0.316626
Loa Loa (eye worm)	cysteine protease	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.113631	1	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0219777	0.182367	0.180987
Loa Loa (eye worm)	hypothetical protein	0.0764741	0.668527	0.667968
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.113631	1	1
Plasmodium vivax	vivapain-3	0.0591343	0.51384	0.513019
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0219777	0.182367	0.180987
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.00153523	0	0.5
Onchocerca volvulus		0.113631	1	1
Schistosoma mansoni	cathepsin s	0.0371566	0.317777	0.316626
Trypanosoma cruzi	cysteine protease, putative	0.0591343	0.51384	0.513019
Plasmodium falciparum	serine repeat antigen 5	0.0219777	0.182367	0.180987
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0219777	0.182367	0.182071
Loa Loa (eye worm)	hypothetical protein	0.0371566	0.317777	0.316626
Entamoeba histolytica	cysteine protease, putative	0.0591343	0.51384	0.513019
Plasmodium falciparum	cysteine proteinase falcipain 3	0.113631	1	1
Loa Loa (eye worm)	ctsf protein	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0219777	0.182367	0.182071
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.113631	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.113631	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0219777	0.182367	0.182071
Entamoeba histolytica	cysteine proteinase, putative	0.0591343	0.51384	0.513019
Plasmodium vivax	unspecified product	0.0219777	0.182367	0.180987
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0591343	0.51384	0.513019
Giardia lamblia	Cathepsin B precursor	0.0219777	0.182367	0.620917
Leishmania major	cathepsin L-like protease	0.113631	1	1
Schistosoma mansoni	cathepsin C	0.0219777	0.182367	0.180987
Entamoeba histolytica	cysteine protease, putative	0.0591343	0.51384	0.513019
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0371566	0.317777	0.316626
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0520525	0.450663	0.449736
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0764741	0.668527	0.668407
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.113631	1	1
Leishmania major	cathepsin L-like protease	0.113631	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0764741	0.668527	0.667968
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0764741	0.668527	0.667968
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.00172408	0.00168479	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.113631	1	1
Giardia lamblia	Hypothetical protein	0.0219777	0.182367	0.620917
Entamoeba histolytica	cysteine proteinase 1, putative	0.0591343	0.51384	0.513019
Plasmodium vivax	unspecified product	0.0591343	0.51384	0.513019
Plasmodium vivax	vivapain-2	0.113631	1	1
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0216387	0.179342	0.177957
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0591343	0.51384	0.513019
Giardia lamblia	Cathepsin B precursor	0.034343	0.292677	1
Leishmania major	cathepsin L-like protease	0.113631	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (ADMET)	= 15.3 uM	Cytotoxicity against human HepG2 cells incubated for 72 hrs by MTT assay	ChEMBL.	25282267
IC50 (functional)	= 4.93 uM	Antiplasmodial activity against chloroquine, pyrimethamine and proguanil-resistant Plasmodium falciparum K1 infected in human erythrocytes assessed as reduction in Parasitemia incubated for 72 hrs by SYBR Green I fluorescence-based method	ChEMBL.	25282267
IC50 (functional)	> 50 uM	Antileishmanial activity Leishmania donovani MHOM/IN/00/DEVI promastigotes incubated for 72 hrs by MTT assay	ChEMBL.	25282267

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum		25282267

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: CHEMBL3343802

Bibliographic References

No literature references available for this target.

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Detailed information for compound 936957