TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 261.339 | Formula: C14H15NO2S
H donors: 1 H acceptors: 1 LogP: 2.39 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2[nH]c3CCSCc3c(=O)c2cc1C
InChi: 1S/C14H15NO2S/c1-8-5-9-12(6-13(8)17-2)15-11-3-4-18-7-10(11)14(9)16/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChiKey: RFNJIGOSHKDQHY-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
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0037	0.0891	0.0891
Trypanosoma cruzi	cysteine peptidase, putative	0.0037	0.0891	0.1472
Trypanosoma cruzi	major cysteine proteinase, putative	0.0111	0.3865	0.7525
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0016	0.0024	0.0034
Loa Loa (eye worm)	MH1 domain-containing protein	0.0018	0.0122	0.0122
Brugia malayi	Papain family cysteine protease containing protein	0.0019	0.0168	0.0144
Schistosoma mansoni	transcription factor LCR-F1	0.0194	0.7198	1
Entamoeba histolytica	cysteine proteinase, putative	0.0025	0.0398	0.0327
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0037	0.0891	0.89
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.508	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0194	0.7198	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0177	0.6522	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.098	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0024	0.0024
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0037	0.0891	0.1238
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0116	0.4068	0.3626
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0037	0.0891	0.89
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0024	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0811	0.0811
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0177	0.6522	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0024	0.0024
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.508	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0116	0.4068	0.5652
Brugia malayi	MH1 domain containing protein	0.0018	0.0122	0.0098
Onchocerca volvulus		0.0039	0.098	1
Echinococcus granulosus	Low density lipoprotein receptor class A cysteine rich	0.0016	0.0024	0.0034
Brugia malayi	Papain family cysteine protease containing protein	0.0037	0.0891	0.0869
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0037	0.0891	0.89
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0016	0.0024	0.0024
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0177	0.6522	1
Brugia malayi	Cathepsin L-like precursor	0.0025	0.0398	0.0375
Trypanosoma cruzi	cysteine peptidase, putative	0.0141	0.508	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0398	0.0398
Echinococcus granulosus	cathepsin l1	0.0025	0.0398	0.0553
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0024	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0024	0.0024
Schistosoma mansoni	hypothetical protein	0.0035	0.0811	0.1097
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0053	0.0074
Echinococcus multilocularis	low density lipoprotein receptor protein	0.0016	0.0024	0.0034
Leishmania major	cathepsin L-like protease	0.0141	0.508	1
Schistosoma mansoni	lamin	0.0031	0.0643	0.0863
Entamoeba histolytica	cysteine protease, putative	0.0037	0.0891	0.1028
Schistosoma mansoni	Smad4	0.0018	0.0122	0.0137
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.508	1
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0122	0.0137
Echinococcus multilocularis	cathepsin L cysteine protease	0.0037	0.0891	0.1238
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0037	0.0891	0.89
Onchocerca volvulus		0.0037	0.0891	0.9065
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0018	0.0122	0.017
Trypanosoma cruzi	cruzipain precursor, putative	0.0141	0.508	1
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0053	0.0074
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0037	0.0891	0.89
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.098	0.0958
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.098	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0061	0.1854	0.2653
Echinococcus granulosus	cysteine protease	0.0019	0.0168	0.0233
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0037	0.0891	0.89
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0024	0.0024
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0037	0.0891	0.89
Brugia malayi	Cathepsin L-like precursor	0.0037	0.0891	0.0869
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0037	0.0891	0.89
Brugia malayi	cathepsin L-like precursor	0.0025	0.0398	0.0375
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0066	0.0066
Brugia malayi	MH2 domain containing protein	0.0018	0.0122	0.0098
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0018	0.0122	0.017
Brugia malayi	Cathepsin L-like precursor	0.0037	0.0891	0.0869
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0024	0.0024
Echinococcus multilocularis	Low density lipoprotein receptor, class A, cysteine rich	0.0016	0.0024	0.0034
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0177	0.6522	0.9061
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.0066	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0039	0.098	0.098
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.508	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0037	0.0891	0.89
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0177	0.6522	0.9061
Brugia malayi	Cathepsin L-like precursor	0.0025	0.0398	0.0375
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0037	0.0891	0.89
Echinococcus multilocularis	cysteine protease	0.0037	0.0891	0.1238
Schistosoma mansoni	peptidase Clp (S14 family)	0.0177	0.6522	0.9058
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.098	0.1362
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0019	0.0168	0.02
Brugia malayi	MH2 domain containing protein	0.0018	0.0122	0.0098
Loa Loa (eye worm)	transcription factor SMAD2	0.0264	1	1
Echinococcus granulosus	peptidase Clp S14 family	0.0116	0.4068	0.5652
Loa Loa (eye worm)	hypothetical protein	0.0039	0.098	0.098
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0177	0.6522	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0024	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0891	0.0891
Echinococcus granulosus	cathepsin L cysteine protease	0.0019	0.0168	0.0233
Loa Loa (eye worm)	hypothetical protein	0.003	0.062	0.062
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.1464	0.1464
Trypanosoma cruzi	cysteine peptidase, putative	0.0141	0.508	1
Brugia malayi	beta-lactamase family protein	0.0039	0.098	0.0958
Schistosoma mansoni	hypothetical protein	0.0016	0.0053	0.004
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0053	0.0074
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0037	0.0891	0.89
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0037	0.0891	0.89
Loa Loa (eye worm)	MH2 domain-containing protein	0.0018	0.0122	0.0122
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0037	0.0891	0.89
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0037	0.0891	0.89
Brugia malayi	Smad1	0.0018	0.0122	0.0098
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0037	0.0891	0.0891
Schistosoma mansoni	lamin	0.0031	0.0643	0.0863
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0116	0.4068	0.5572
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0129	0.4588	0.8997
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.098	0.1362
Loa Loa (eye worm)	fibroinase	0.0037	0.0891	0.0891
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.508	1
Brugia malayi	hypothetical protein	0.0194	0.7198	0.7191
Loa Loa (eye worm)	low-density lipoprotein receptor domain class A containing protein	0.0016	0.0024	0.0024
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0053	0.0074
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0018	0.0122	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0024	0.0024
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0122	0.0137
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.1464	0.1444
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.508	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.098	0.098
Brugia malayi	beta-lactamase family protein	0.0039	0.098	0.0958
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0053	0.0074
Schistosoma mansoni	cathepsin F (C01 family)	0.0025	0.0398	0.0521
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0037	0.0891	0.89
Echinococcus granulosus	lamin dm0	0.0031	0.0643	0.0894
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0019	0.0168	0.02
Brugia malayi	Cathepsin L-like precursor	0.0037	0.0891	0.0869
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0037	0.0891	0.1138
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0194	0.7198	1
Leishmania major	hypothetical protein, conserved	0.0039	0.098	0.0213
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0037	0.0891	0.1238
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0037	0.0891	0.1238
Schistosoma mansoni	thyroid hormone receptor	0.0142	0.5096	0.7071
Loa Loa (eye worm)	hypothetical protein	0.0039	0.098	0.098
Loa Loa (eye worm)	hypothetical protein	0.0039	0.098	0.098
Toxoplasma gondii	hypothetical protein	0.0061	0.1854	0.171
Loa Loa (eye worm)	low-density lipoprotein receptor domain class A containing protein	0.0016	0.0024	0.0024
Onchocerca volvulus		0.0037	0.0891	0.9065
Echinococcus multilocularis	low density lipoprotein receptor (ldl)	0.0016	0.0024	0.0034
Echinococcus multilocularis	low density lipoprotein receptor (ldl)	0.0016	0.0024	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0039	0.098	0.098
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0053	0.0029
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0037	0.0891	0.89
Echinococcus multilocularis	smad	0.0018	0.0122	0.017
Loa Loa (eye worm)	ctsf protein	0.0037	0.0891	0.0891
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.508	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.508	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0037	0.0891	0.1238
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0251	0.9496	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0643	0.0643
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0811	0.0789
Echinococcus multilocularis	lamin	0.0031	0.0643	0.0894
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.098	0.1333
Onchocerca volvulus		0.0039	0.098	1
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0643	0.0643
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0037	0.0891	0.1138
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0643	0.062
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0398	0.2832
Echinococcus granulosus	cathepsin L	0.0019	0.0168	0.0233
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0131	0.4673	0.6492
Onchocerca volvulus		0.0037	0.0891	0.9065
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0398	0.2832
Echinococcus granulosus	smad	0.0018	0.0122	0.017
Schistosoma mansoni	hypothetical protein	0.0194	0.7198	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.098	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0398	0.0398
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0177	0.6522	0.5
Entamoeba histolytica	hypothetical protein	0.0194	0.7198	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0177	0.6522	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0398	0.0398
Trichomonas vaginalis	esterase, putative	0.0039	0.098	1
Entamoeba histolytica	cysteine proteinase, putative	0.0037	0.0891	0.1028
Plasmodium vivax	vivapain-2	0.0037	0.0891	0.1138
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0122	0.0137
Brugia malayi	Probable ClpP-like protease	0.0177	0.6522	0.6513
Echinococcus multilocularis	Low density lipoprotein receptor, class A, cysteine rich	0.0016	0.0024	0.0034
Plasmodium vivax	vivapain-2	0.0037	0.0891	0.1138
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0037	0.0891	0.1138
Onchocerca volvulus		0.0039	0.098	1
Onchocerca volvulus		0.0037	0.0891	0.9065
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.098	0.1278
Echinococcus granulosus	Smad4	0.0018	0.0122	0.017
Loa Loa (eye worm)	calcium binding EGF domain-containing protein	0.0016	0.0024	0.0024
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0177	0.6522	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0025	0.0398	0.0375
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0142	0.5096	0.7081
Echinococcus granulosus	cathepsin l1	0.0037	0.0891	0.1238
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0037	0.0891	0.89
Echinococcus multilocularis	cysteine protease	0.0037	0.0891	0.1238
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0024	0.0024
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0177	0.6522	1
Onchocerca volvulus		0.0037	0.0891	0.9065
Loa Loa (eye worm)	MH2 domain-containing protein	0.0264	1	1
Echinococcus granulosus	low density lipoprotein receptor ldl	0.0016	0.0024	0.0034
Echinococcus multilocularis	cathepsin L	0.0019	0.0168	0.0233
Schistosoma mansoni	hypothetical protein	0.0016	0.0053	0.004
Echinococcus granulosus	low density lipoprotein receptor ldl	0.0016	0.0024	0.0034
Onchocerca volvulus		0.0037	0.0891	0.9065
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0037	0.0891	0.89
Echinococcus granulosus	lamin	0.0031	0.0643	0.0894
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0037	0.0891	0.89
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0643	0.0863
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.508	1
Onchocerca volvulus	Cathepsin L homolog	0.0037	0.0891	0.9065
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0177	0.6522	1
Echinococcus granulosus	intermediate filament protein	0.0031	0.0643	0.0894
Echinococcus multilocularis	Low density lipoprotein receptor, class A, cysteine rich	0.0016	0.0024	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0643	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0053	0.0053
Echinococcus granulosus	mothers against decapentaplegic 5	0.0018	0.0122	0.017
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.098	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.1464	0.1444
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0037	0.0891	0.89
Brugia malayi	intermediate filament protein	0.0031	0.0643	0.062
Echinococcus granulosus	5'partial\|Low density lipoprotein receptor class A cysteine rich	0.0016	0.0024	0.0034
Onchocerca volvulus	Cathepsin F homolog	0.0037	0.0891	0.9065
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0019	0.0168	0.02
Onchocerca volvulus	Cathepsin L homolog	0.0037	0.0891	0.9065
Leishmania major	cathepsin L-like protease	0.0141	0.508	1
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0016	0.0024	0.0034
Schistosoma mansoni	hypothetical protein	0.0131	0.4673	0.6481
Loa Loa (eye worm)	Smad1	0.0018	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0177	0.6522	0.6522
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0053	0.0053
Entamoeba histolytica	cysteine proteinase, putative	0.0037	0.0891	0.1028
Entamoeba histolytica	hypothetical protein	0.0194	0.7198	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.098	1
Onchocerca volvulus		0.0031	0.0643	0.6474
Echinococcus multilocularis	Smad4	0.0018	0.0122	0.017
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0061	0.1854	0.2653
Schistosoma mansoni	cathepsin F (C01 family)	0.0037	0.0891	0.1208
Echinococcus granulosus	GPCR family 2	0.0016	0.0053	0.0074
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.098	0.1333
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0037	0.0891	0.1238
Brugia malayi	Cathepsin L-like precursor	0.0037	0.0891	0.0869
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.508	1
Brugia malayi	Papain family cysteine protease containing protein	0.0019	0.0168	0.0144
Entamoeba histolytica	hypothetical protein	0.0194	0.7198	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0177	0.6522	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0116	0.4068	0.3626
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0024	0.0024
Schistosoma mansoni	hypothetical protein	0.0016	0.0053	0.004
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.098	0.1653
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0037	0.0891	0.89
Brugia malayi	MH1 domain containing protein	0.0018	0.0122	0.0098
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0037	0.0891	0.89
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0177	0.6522	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0037	0.0891	0.89
Onchocerca volvulus		0.0031	0.0643	0.6474
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0053	0.0029
Schistosoma mansoni	cathepsin F (C01 family)	0.0037	0.0891	0.1208
Echinococcus multilocularis	lamin dm0	0.0031	0.0643	0.0894
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0061	0.1854	0.1576
Echinococcus granulosus	basement membrane specific heparan sulfate	0.0016	0.0024	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0024	0.0024
Brugia malayi	Cathepsin L-like precursor	0.0037	0.0891	0.0869
Loa Loa (eye worm)	beta-lactamase	0.0039	0.098	0.098
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0037	0.0891	0.89
Echinococcus multilocularis	musashi	0.0031	0.0643	0.0894
Echinococcus granulosus	basement membrane specific heparan sulfate	0.0016	0.0024	0.0034
Onchocerca volvulus		0.0025	0.0398	0.391
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0037	0.0891	0.89
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.098	0.1653
Brugia malayi	Cathepsin L-like precursor	0.0037	0.0891	0.0869
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0018	0.0122	0.017
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.508	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.098	0.098
Leishmania major	cathepsin L-like protease	0.0141	0.508	1
Onchocerca volvulus		0.0037	0.0891	0.9065
Echinococcus granulosus	low density lipoprotein receptor protein	0.0016	0.0024	0.0034
Brugia malayi	beta-lactamase	0.0039	0.098	0.0958
Loa Loa (eye worm)	low-density lipoprotein receptor domain class A containing protein	0.0016	0.0024	0.0024
Entamoeba histolytica	hypothetical protein	0.0194	0.7198	1
Schistosoma mansoni	smad	0.0018	0.0122	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1464	0.1464
Trypanosoma cruzi	cysteine peptidase, putative	0.0141	0.508	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0053	0.004
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.098	0.1653
Toxoplasma gondii	ABC1 family protein	0.0039	0.098	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0024	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0024	0.0024
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0131	0.4673	0.6492
Schistosoma mansoni	thyroid hormone receptor	0.0142	0.5096	0.7071
Loa Loa (eye worm)	cysteine protease	0.0037	0.0891	0.0891

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 96.9 nM	Antimalarial activity against chloroquine, mefloquine, pyrimethamine and atovaquone-resistant Plasmodium falciparum TM90-C2B infected in human A positive erythrocytes after 72 hrs by SYBR Green I assay	ChEMBL.	21630666
EC50 (functional)	= 113 nM	Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium falciparum W2 infected in human A positive erythrocytes after 72 hrs by SYBR Green I assay	ChEMBL.	21630666
EC50 (ADMET)	> 10 uM	Cytotoxicity against mouse J774 cells after 72 hrs by Cell titer 96 aqueous one solution cell proliferation assay	ChEMBL.	21630666
Ratio EC50 (functional)	= 0.86	Resistance index, ratio of EC50 for chloroquine, mefloquine, pyrimethamine and atovaquone-resistant Plasmodium falciparum TM90-C2B to EC50 for chloroquine and pyrimethamine-resistant Plasmodium falciparum W2	ChEMBL.	21630666

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23	21630666
Plasmodium falciparum	ChEMBL23	21630666

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: CHEMBL1802938

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1090596