TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 701.83 | Formula: C32H35N3O9S3
H donors: 4 H acceptors: 8 LogP: 3.49 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: O=C(O[C@@H]1/C=C(\C)/CC[C@]2(CC(=O)N[C@H](c3nc(/C=C\C=C\C1=O)cs3)C)[S+]([O-])SC(=O)[C@]2(C)O)CNC(=O)OCc1ccccc1
InChi: 1S/C32H35N3O9S3/c1-20-13-14-32(31(3,41)29(39)46-47(32)42)16-26(37)34-21(2)28-35-23(19-45-28)11-7-8-12-24(36)25(15-20)44-27(38)17-33-30(40)43-18-22-9-5-4-6-10-22/h4-12,15,19,21,25,41H,13-14,16-18H2,1-3H3,(H,33,40)(H,34,37)/b11-7-,12-8+,20-15+/t21-,25+,31-,32+,47?/m0/s1
InChiKey: RPLOVSZFZGVQNG-YIHCRBMLSA-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
Brugia malayi	Papain family cysteine protease containing protein	0.0039	0.0284	0.0284
Loa Loa (eye worm)	cysteine protease	0.0039	0.0284	0.0284
Schistosoma mansoni	cathepsin F (C01 family)	0.0039	0.0284	0.0217
Brugia malayi	intermediate filament protein	0.0026	0.0139	0.0139
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0137	0.0307
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0087	0.0818	0.0755
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0103	0.034
Giardia lamblia	Malate dehydrogenase	0.0217	0.2296	1
Echinococcus multilocularis	malate dehydrogenase	0.0217	0.2296	0.2243
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0284	0.0966
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0139	0.0071
Onchocerca volvulus	Cathepsin L homolog	0.0039	0.0284	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0103	0.0103
Leishmania major	cathepsin L-like protease	0.0039	0.0284	0.0183
Brugia malayi	Cathepsin L-like precursor	0.0039	0.0284	0.0284
Schistosoma mansoni	lamin	0.0026	0.0139	0.0071
Brugia malayi	Probable malate dehydrogenase, mitochondrial precursor	0.0217	0.2296	0.2296
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0087	0.0818	0.0755
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0103	0.0294
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0487	0.5342	0.5342
Plasmodium vivax	lactate dehydrogenase	0.0559	0.6159	1
Loa Loa (eye worm)	hypothetical protein	0.0487	0.5342	0.5342
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0103	0.0103
Mycobacterium leprae	PROBABLE MALATE DEHYDROGENASE MDH	0.0217	0.2296	1
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0217	0.2296	0.2243
Trichomonas vaginalis	malate dehydrogenase, putative	0.0106	0.1036	0.4345
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0137	0.0137
Mycobacterium tuberculosis	Probable malate dehydrogenase Mdh	0.0217	0.2296	1
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0217	0.2296	0.2243
Echinococcus multilocularis	carbonic anhydrase	0.0487	0.5342	0.531
Wolbachia endosymbiont of Brugia malayi	malate dehydrogenase	0.0559	0.6159	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0087	0.0818	0.0755
Trypanosoma brucei	mitochondrial malate dehydrogenase	0.0217	0.2296	0.2243
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0137	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0487	0.5342	0.5342
Mycobacterium ulcerans	malate dehydrogenase	0.0217	0.2296	1
Schistosoma mansoni	L-lactate dehydrogenase	0.0217	0.2296	0.2243
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0039	0.0284	0.0217
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0087	0.0818	0.0755
Echinococcus multilocularis	carbonic anhydrase	0.0487	0.5342	0.531
Plasmodium vivax	flap endonuclease 1, putative	0.0026	0.0136	0.0162
Trypanosoma cruzi	cysteine peptidase, putative	0.0087	0.0818	0.0755
Onchocerca volvulus		0.0039	0.0284	1
Brugia malayi	Cathepsin L-like precursor	0.0039	0.0284	0.0284
Trypanosoma brucei	cytosolic malate dehydrogenase	0.0217	0.2296	0.2243
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0133	0.0133
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.0284	0.0966
Trypanosoma brucei	malate dehydrogenase-related	0.0217	0.2296	0.2243
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0217	0.2296	0.2243
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0487	0.5342	0.5342
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0284	0.0966
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0039	0.0284	0.0284
Trypanosoma cruzi	cruzipain precursor, putative	0.0087	0.0818	0.0755
Trypanosoma cruzi	malate dehydrogenase, putative	0.0217	0.2296	0.2243
Echinococcus multilocularis	cathepsin L cysteine protease	0.0039	0.0284	0.0217
Echinococcus multilocularis	lactate dehydrogenase a	0.0559	0.6159	0.6132
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.0284	0.0966
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0284	0.0966
Loa Loa (eye worm)	fibroinase	0.0039	0.0284	0.0284
Leishmania major	cathepsin L-like protease	0.0039	0.0284	0.0183
Trypanosoma cruzi	cysteine peptidase, putative	0.0039	0.0284	0.0217
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0137	0.0307
Toxoplasma gondii	lactate dehydrogenase LDH1	0.0559	0.6159	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0284	0.0966
Leishmania major	cathepsin L-like protease	0.0087	0.0818	0.0723
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0103	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0103	0.0103
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0899	1	1
Echinococcus multilocularis	malate dehydrogenase	0.0217	0.2296	0.2243
Echinococcus multilocularis	cathepsin L cysteine protease	0.0039	0.0284	0.0217
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0026	0.0136	0.0068
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0039	0.0284	0.0217
Echinococcus granulosus	lactate dehydrogenase protein	0.0559	0.6159	0.6132
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0039	0.0284	0.0966
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0217	0.2296	1
Plasmodium vivax	malate dehydrogenase, putative	0.0559	0.6159	1
Schistosoma mansoni	malate dehydrogenase	0.0217	0.2296	0.2243
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0026	0.0136	0.0033
Plasmodium falciparum	malate dehydrogenase	0.0559	0.6159	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0284	0.0966
Toxoplasma gondii	cathepsin CPL	0.0039	0.0284	0.0246
Entamoeba histolytica	cysteine proteinase, putative	0.0039	0.0284	0.0353
Echinococcus multilocularis	cysteine protease	0.0039	0.0284	0.0217
Entamoeba histolytica	malate dehydrogenase, putative	0.0559	0.6159	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0217	0.2296	1
Brugia malayi	Malate dehydrogenase, cytoplasmic	0.0217	0.2296	0.2296
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0036	0.0036
Entamoeba histolytica	malate dehydrogenase, putative	0.0217	0.2296	0.3658
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0103	0.0056
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0039	0.0284	0.0217
Leishmania major	cathepsin L-like protease	0.0039	0.0284	0.0183
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0487	0.5342	0.5342
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0087	0.0818	0.0755
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0899	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0087	0.0818	0.0755
Echinococcus multilocularis	flap endonuclease 1	0.0026	0.0136	0.0068
Echinococcus multilocularis	carbonic anhydrase II	0.0899	1	1
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0899	1	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0137	0.0137
Echinococcus multilocularis	lactate dehydrogenase a	0.0559	0.6159	0.6132
Plasmodium vivax	unspecified product	0.002	0.0068	0.0053
Loa Loa (eye worm)	ctsf protein	0.0039	0.0284	0.0284
Trichomonas vaginalis	malate dehydrogenase, putative	0.0106	0.1036	0.4345
Echinococcus multilocularis	L lactate dehydrogenase	0.0342	0.3702	0.3659
Echinococcus multilocularis	carbonic anhydrase	0.0487	0.5342	0.531
Echinococcus granulosus	carbonic anhydrase	0.0487	0.5342	0.531
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.0284	0.0966
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0103	0.0294
Brugia malayi	lactate dehydrogenase.	0.0559	0.6159	0.6159
Brugia malayi	Cathepsin L-like precursor	0.0039	0.0284	0.0284
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0103	0.0103
Echinococcus granulosus	carbonic anhydrase	0.0487	0.5342	0.531
Onchocerca volvulus		0.0026	0.0139	0.1998
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0284	0.0966
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0103	0.0056
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0103	0.0294
Leishmania major	cytosolic malate dehydrogenase	0.0217	0.2296	0.2216
Onchocerca volvulus		0.0026	0.0137	0.1889
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0284	0.0966
Leishmania major	cathepsin L-like protease	0.0039	0.0284	0.0183
Entamoeba histolytica	cysteine proteinase, putative	0.0039	0.0284	0.0353
Leishmania major	glycosomal malate dehydrogenase	0.0217	0.2296	0.2216
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.0284	0.0966
Schistosoma mansoni	malate dehydrogenase	0.0217	0.2296	0.2243
Loa Loa (eye worm)	hypothetical protein	0.0559	0.6159	0.6159
Leishmania major	cathepsin L-like protease	0.0039	0.0284	0.0183
Echinococcus multilocularis	cysteine protease	0.0039	0.0284	0.0217
Entamoeba histolytica	cysteine proteinase, putative	0.0026	0.0137	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0036	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0036	0.0036
Plasmodium falciparum	L-lactate dehydrogenase	0.0559	0.6159	1
Echinococcus multilocularis	L lactate dehydrogenase B chain	0.0559	0.6159	0.6132
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0103	0.0294
Schistosoma mansoni	lamin	0.0026	0.0139	0.0071
Chlamydia trachomatis	malate dehydrogenase	0.0217	0.2296	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.0284	0.0966
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0284	0.0966
Loa Loa (eye worm)	malate dehydrogenase	0.0217	0.2296	0.2296
Leishmania major	malate dehydrogenase, putative	0.0559	0.6159	0.6119
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0217	0.2296	0.2243
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0217	0.2296	1
Echinococcus granulosus	carbonic anhydrase	0.0487	0.5342	0.531
Echinococcus granulosus	L lactate dehydrogenase	0.0342	0.3702	0.3659
Onchocerca volvulus		0.0039	0.0284	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0103	0.0103
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0284	0.0966
Toxoplasma gondii	malate dehydrogenase MDH	0.0559	0.6159	1
Schistosoma mansoni	hypothetical protein	0.0487	0.5342	0.531
Schistosoma mansoni	flap endonuclease-1	0.0024	0.0107	0.0039
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0217	0.2296	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0087	0.0818	0.0755
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0087	0.0818	0.0755
Trichomonas vaginalis	malate dehydrogenase, putative	0.0217	0.2296	1
Trypanosoma brucei	glycosomal malate dehydrogenase	0.0217	0.2296	0.2243
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0039	0.0284	0.0966
Echinococcus granulosus	flap endonuclease 1	0.0026	0.0136	0.0068
Brugia malayi	Papain family cysteine protease containing protein	0.002	0.0068	0.0068
Leishmania major	malate dehydrogenase, putative	0.0217	0.2296	0.2216
Plasmodium vivax	vivapain-2	0.0039	0.0284	0.0404
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0284	0.0966
Trichomonas vaginalis	malate dehydrogenase, putative	0.0217	0.2296	1
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0899	1	1
Schistosoma mansoni	carbonic anhydrase	0.0487	0.5342	0.531
Echinococcus granulosus	carbonic anhydrase II	0.0899	1	1
Echinococcus granulosus	lamin dm0	0.0026	0.0139	0.0071
Trypanosoma cruzi	mitochondrial malate dehydrogenase, putative	0.0217	0.2296	0.2243
Echinococcus granulosus	intermediate filament protein	0.0026	0.0139	0.0071
Toxoplasma gondii	lactate dehydrogenase LDH2	0.0559	0.6159	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0039	0.0284	0.0217
Onchocerca volvulus		0.0026	0.0139	0.1998
Onchocerca volvulus	Cathepsin F homolog	0.0039	0.0284	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0036	0.0036
Trichomonas vaginalis	malate dehydrogenase, putative	0.0217	0.2296	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0217	0.2296	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0284	0.0966
Trichomonas vaginalis	malate dehydrogenase, putative	0.0217	0.2296	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0087	0.0818	0.0755
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0217	0.2296	0.2243
Echinococcus multilocularis	lamin	0.0026	0.0139	0.0071
Schistosoma mansoni	carbonic anhydrase-related	0.0487	0.5342	0.531
Loa Loa (eye worm)	carbonic anhydrase 3	0.0899	1	1
Echinococcus multilocularis	lactate dehydrogenase a	0.0559	0.6159	0.6132
Trichomonas vaginalis	malate dehydrogenase, putative	0.0217	0.2296	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.0284	0.0966
Echinococcus granulosus	malate dehydrogenase	0.0217	0.2296	0.2243
Trichomonas vaginalis	malate dehydrogenase, putative	0.0217	0.2296	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0284	0.0966
Echinococcus multilocularis	lamin dm0	0.0026	0.0139	0.0071
Trypanosoma cruzi	malate dehydrogenase, putative	0.0217	0.2296	0.2243
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0036	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0139	0.0139
Plasmodium vivax	vivapain-1	0.002	0.0068	0.0053
Plasmodium falciparum	carbonic anhydrase	0.0487	0.5342	0.8666
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0487	0.5342	0.5342
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0103	0.0294
Echinococcus granulosus	lamin	0.0026	0.0139	0.0071
Leishmania major	carbonic anhydrase-like protein	0.0899	1	1
Onchocerca volvulus		0.0039	0.0284	1
Schistosoma mansoni	malate dehydrogenase	0.0559	0.6159	0.6132
Brugia malayi	Papain family cysteine protease containing protein	0.002	0.0068	0.0068
Loa Loa (eye worm)	malate dehydrogenase	0.0217	0.2296	0.2296
Plasmodium falciparum	cysteine proteinase falcipain 1	0.002	0.0068	0.0053
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0103	0.034
Echinococcus multilocularis	musashi	0.0026	0.0139	0.0071
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0087	0.0818	0.0755
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0036	0.0036
Leishmania major	mitochondrial malate dehydrogenase	0.0217	0.2296	0.2216
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0039	0.0284	0.0217
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0026	0.0137	0.0137
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.0284	0.0966
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0103	0.0056
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0103	0.0294
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0103	0.0294
Trichomonas vaginalis	malate dehydrogenase, putative	0.0217	0.2296	1
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0139	0.0139
Trypanosoma brucei	carbonic anhydrase-like protein	0.0899	1	1
Schistosoma mansoni	carbonic anhydrase-related	0.0487	0.5342	0.531
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0074	0.0671	0.0607
Schistosoma mansoni	L-lactate dehydrogenase	0.0559	0.6159	0.6132
Trypanosoma cruzi	cysteine peptidase, putative	0.0087	0.0818	0.0755
Onchocerca volvulus		0.0039	0.0284	1
Plasmodium vivax	vivapain-2	0.0039	0.0284	0.0404
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0087	0.0818	0.0755
Plasmodium falciparum	lactate dehydrogenase, putative	0.0217	0.2296	0.3691
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0899	1	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0284	0.0284
Plasmodium falciparum	flap endonuclease 1	0.0026	0.0136	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0487	0.5342	0.5342
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0026	0.0136	0.0068
Toxoplasma gondii	hypothetical protein	0.0487	0.5342	0.8644
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0087	0.0818	0.0755
Echinococcus granulosus	lactate dehydrogenase a	0.0559	0.6159	0.6132
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0103	0.0103
Leishmania major	malate dehydrogenase	0.0217	0.2296	0.2216
Echinococcus granulosus	cathepsin l1	0.0026	0.0137	0.0069
Trichomonas vaginalis	malate dehydrogenase, putative	0.0217	0.2296	1
Plasmodium vivax	vivapain-3	0.002	0.0068	0.0053
Brugia malayi	Cathepsin L-like precursor	0.0039	0.0284	0.0284
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0137	0.0137
Trypanosoma cruzi	major cysteine proteinase, putative	0.0055	0.0456	0.039
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0284	0.0966
Entamoeba histolytica	Flap nuclease, putative	0.0026	0.0136	0.011
Plasmodium vivax	lactate/malate dehydrogenase, putative	0.0217	0.2296	0.3691
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0899	1	1
Echinococcus granulosus	lactate dehydrogenase a	0.0559	0.6159	0.6132
Trichomonas vaginalis	malate dehydrogenase, putative	0.0217	0.2296	1
Brugia malayi	Cathepsin L-like precursor	0.0039	0.0284	0.0284
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0217	0.2296	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0039	0.0284	0.0404
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.0284	0.0966
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0217	0.2296	0.2243
Echinococcus granulosus	cathepsin l1	0.0039	0.0284	0.0217
Brugia malayi	cathepsin L-like precursor	0.0026	0.0137	0.0137
Onchocerca volvulus		0.0039	0.0284	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0487	0.5342	0.5342
Onchocerca volvulus	Cathepsin L homolog	0.0039	0.0284	1
Leishmania major	cathepsin L-like protease	0.0087	0.0818	0.0723
Onchocerca volvulus		0.0039	0.0284	1
Leishmania major	cathepsin L-like protease	0.0087	0.0818	0.0723
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0487	0.5342	0.5342
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0217	0.2296	0.2243
Echinococcus granulosus	L lactate dehydrogenase B chain	0.0559	0.6159	0.6132
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0039	0.0284	0.0404
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0137	0.0137
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.0284	0.0966
Trichomonas vaginalis	flap endonuclease-1, putative	0.0026	0.0136	0.0302
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0039	0.0284	0.0404
Entamoeba histolytica	malate dehydrogenase,cytoplasmic, putative	0.0217	0.2296	0.3658
Echinococcus granulosus	malate dehydrogenase	0.0217	0.2296	0.2243
Schistosoma mansoni	cathepsin F (C01 family)	0.0026	0.0137	0.0069
Schistosoma mansoni	malate dehydrogenase	0.0217	0.2296	0.2243
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.0284	0.0966
Schistosoma mansoni	carbonic anhydrase-related	0.0487	0.5342	0.531
Entamoeba histolytica	cysteine protease, putative	0.0039	0.0284	0.0353
Onchocerca volvulus		0.0039	0.0284	1
Loa Loa (eye worm)	flap endonuclease-1	0.0026	0.0136	0.0136
Echinococcus multilocularis	lactate dehydrogenase protein	0.0559	0.6159	0.6132
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0039	0.0284	0.0284
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0217	0.2296	0.2243
Leishmania major	cysteine peptidase A (CPA)	0.0039	0.0284	0.0183
Trichomonas vaginalis	malate dehydrogenase, putative	0.0217	0.2296	1
Brugia malayi	Cathepsin L-like precursor	0.0039	0.0284	0.0284
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0139	0.0139
Brugia malayi	Flap endonuclease-1	0.0026	0.0136	0.0136

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.0062 uM l-1	In vitro antiproliferative activity against HeLa S3 cells.	ChEMBL.	12565949
ILS (functional)	= 54 %	In vivo antitumor activity against lymphocytic leukemia P388 in mice expressed as maximal increase in life span at an optimal dose of 8 mg/kg.	ChEMBL.	12565949

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	12565949

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: CHEMBL540157

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1463965