TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 643.575 | Formula: C28H33BrN7O4S-
H donors: 0 H acceptors: 6 LogP: 3.21 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: COC(=O)N1CCC(CC1)CN(S(=O)(=O)c1ccccn1)C1CN(Cc2cncn2C)c2c(C1)cc(cc2)C#N.[Br-]
InChi: 1S/C28H33N7O4S.BrH/c1-32-20-30-16-25(32)19-34-18-24(14-23-13-22(15-29)6-7-26(23)34)35(40(37,38)27-5-3-4-10-31-27)17-21-8-11-33(12-9-21)28(36)39-2;/h3-7,10,13,16,20-21,24H,8-9,11-12,14,17-19H2,1-2H3;1H/p-1
InChiKey: SJEYLNBPSFWPGI-UHFFFAOYSA-M

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0062	0.0272	0.1561
Entamoeba histolytica	cysteine protease, putative	0.0062	0.0272	0.1422
Trypanosoma cruzi	cysteine peptidase, putative	0.0253	0.2226	0.2226
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0173	0.1404	0.1404
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0062	0.0272	0.1561
Trypanosoma brucei	glucosidase, putative	0.0038	0.003	0.0092
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0253	0.2226	0.6784
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0062	0.0272	0.1561
Echinococcus granulosus	neutral alpha glucosidase AB	0.0038	0.003	0.003
Giardia lamblia	Cathepsin L precursor	0.0062	0.0272	0.0829
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1146	0.1146
Plasmodium falciparum	serine repeat antigen 8	0.0062	0.0272	0.1561
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0206	0.1742	0.531
Entamoeba histolytica	cysteine proteinase, putative	0.012	0.0868	0.4899
Plasmodium vivax	unspecified product	0.0062	0.0272	0.1561
Brugia malayi	hypothetical protein	0.0038	0.0028	0.0028
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0325	0.0325
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0356	0.3281	1
Brugia malayi	Cathepsin L-like precursor	0.0206	0.1742	0.1742
Schistosoma mansoni	hypothetical protein	0.018	0.1475	0.1475
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0062	0.0272	0.0272
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0062	0.0272	0.1422
Brugia malayi	Papain family cysteine protease containing protein	0.012	0.0868	0.0868
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0062	0.0272	0.0272
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0038	0.003	0.003
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.0325	0.0325
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.0325	0.0325
Plasmodium falciparum	serine repeat antigen 5	0.0062	0.0272	0.1561
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1742	0.531
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0179	0.0179
Entamoeba histolytica	cysteine proteinase, putative	0.0206	0.1742	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0253	0.2226	0.2226
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1742	0.531
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0062	0.0272	0.1422
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.012	0.0868	0.0868
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0062	0.0272	0.1561
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0038	0.003	0.003
Loa Loa (eye worm)	cathepsin B	0.0356	0.3281	0.3281
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0062	0.0272	0.0829
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0173	0.1404	0.1404
Trichomonas vaginalis	alpha-glucosidase, putative	0.0038	0.003	0.0092
Entamoeba histolytica	cysteine protease, putative	0.0062	0.0272	0.1422
Entamoeba histolytica	cysteine protease, putative	0.012	0.0868	0.4899
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0325	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0272	0.0272
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.0272	0.0829
Leishmania major	cathepsin L-like protease	0.0253	0.2226	0.6784
Trypanosoma cruzi	major cysteine proteinase, putative	0.0062	0.0272	0.0272
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.1146	0.3493
Echinococcus multilocularis	cathepsin b	0.1014	1	1
Loa Loa (eye worm)	hypothetical protein	0.1014	1	1
Plasmodium vivax	unspecified product	0.0058	0.0234	0.1345
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0062	0.0272	0.0829
Echinococcus granulosus	geminin	0.018	0.1475	0.1475
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0325	0.0325
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0253	0.2226	0.6784
Brugia malayi	cathepsin L-like cysteine proteinase	0.0062	0.0272	0.0272
Loa Loa (eye worm)	fibroinase	0.0206	0.1742	0.1742
Leishmania major	cysteine peptidase A (CPA)	0.0206	0.1742	0.531
Leishmania major	cathepsin L-like protease	0.0253	0.2226	0.6784
Schistosoma mansoni	cathepsin s	0.0058	0.0234	0.0234
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0206	0.1742	1
Giardia lamblia	Cathepsin B precursor	0.0356	0.3281	1
Plasmodium vivax	vivapain-2	0.0206	0.1742	1
Onchocerca volvulus		0.0206	0.1742	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0062	0.0272	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0179	0.0179
Brugia malayi	RNA binding protein	0.0067	0.0325	0.0325
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.0325	0.0325
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1742	0.531
Entamoeba histolytica	cysteine protease, putative	0.012	0.0868	0.4899
Onchocerca volvulus		0.0206	0.1742	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0058	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0234	0.0234
Echinococcus granulosus	lysosomal alpha glucosidase	0.0173	0.1404	0.1404
Onchocerca volvulus	Cathepsin F homolog	0.0206	0.1742	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0206	0.1742	0.531
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0062	0.0272	0.1561
Giardia lamblia	Cathepsin B precursor	0.0062	0.0272	0.0829
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.012	0.0868	0.0868
Entamoeba histolytica	cysteine protease, putative	0.012	0.0868	0.4899
Entamoeba histolytica	cysteine protease, putative	0.0062	0.0272	0.1422
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.012	0.0868	0.2645
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0062	0.0272	0.0272
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0253	0.2226	0.6784
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0028	0.0028
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0058	0.0234	0.0234
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0062	0.0272	0.0829
Entamoeba histolytica	cysteine protease, putative	0.012	0.0868	0.4899
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.012	0.0868	0.0868
Plasmodium vivax	vivapain-3	0.012	0.0868	0.4982
Echinococcus multilocularis	geminin	0.018	0.1475	0.1475
Onchocerca volvulus		0.01	0.066	0.3788
Giardia lamblia	Cathepsin L-like protease	0.0062	0.0272	0.0829
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.0325	0.0325
Brugia malayi	fibroinase precursor	0.0062	0.0272	0.0272
Trypanosoma cruzi	cysteine peptidase, putative	0.0058	0.0234	0.0234
Plasmodium falciparum	cysteine proteinase falcipain 1	0.012	0.0868	0.4982
Giardia lamblia	Cathepsin B precursor	0.0356	0.3281	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0038	0.003	0.0011
Brugia malayi	cathepsin L-like precursor	0.0148	0.1146	0.1146
Trichomonas vaginalis	conserved hypothetical protein	0.0062	0.0272	0.0829
Brugia malayi	Cathepsin L-like precursor	0.0148	0.1146	0.1146
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0195	0.163	0.163
Trypanosoma cruzi	cysteine peptidase, putative	0.0206	0.1742	0.1742
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0253	0.2226	0.6784
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0062	0.0272	0.1561
Brugia malayi	Papain family cysteine protease containing protein	0.0062	0.0272	0.0272
Schistosoma mansoni	alpha-glucosidase	0.0149	0.1158	0.1158
Leishmania major	cathepsin L-like protease	0.0206	0.1742	0.531
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.086	0.8427	0.8427
Onchocerca volvulus		0.0206	0.1742	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0206	0.1742	0.531
Loa Loa (eye worm)	cysteine protease	0.0206	0.1742	0.1742
Giardia lamblia	Cysteine protease	0.0062	0.0272	0.0829
Trichomonas vaginalis	alpha-glucosidase, putative	0.0038	0.003	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0234	0.0234
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0253	0.2226	0.6784
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0062	0.0272	0.0829
Entamoeba histolytica	cysteine protease, putative	0.012	0.0868	0.4899
Plasmodium falciparum	serine repeat antigen 3	0.0062	0.0272	0.1561
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0008	0.0008
Entamoeba histolytica	cysteine proteinase 2	0.012	0.0868	0.4899
Echinococcus granulosus	cathepsin L cysteine protease	0.012	0.0868	0.0868
Schistosoma mansoni	hypothetical protein	0.0038	0.0028	0.0028
Onchocerca volvulus		0.0206	0.1742	1
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0035	0	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0062	0.0272	0.1561
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0206	0.1742	0.531
Trypanosoma cruzi	cruzipain precursor, putative	0.0058	0.0234	0.0234
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0253	0.2226	0.6784
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0062	0.0272	0.0272
Mycobacterium ulcerans	pyruvate kinase	0.0035	0	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1014	1	1
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0038	0.003	0.0092
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0038	0.003	0.003
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0028	0.0028
Entamoeba histolytica	cysteine protease, putative	0.012	0.0868	0.4899
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1742	0.531
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0038	0.003	0.0092
Giardia lamblia	Cysteine protease	0.0062	0.0272	0.0829
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0206	0.1742	0.1742
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1742	0.531
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1742	0.531
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0272	0.0829
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0206	0.1742	0.531
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0148	0.1146	0.1146
Brugia malayi	Cathepsin L-like precursor	0.0058	0.0234	0.0234
Giardia lamblia	Encystation-specific protease	0.0062	0.0272	0.0829
Plasmodium falciparum	serine repeat antigen 7	0.0062	0.0272	0.1561
Loa Loa (eye worm)	hypothetical protein	0.0206	0.1742	0.1742
Giardia lamblia	Cathepsin L precursor	0.0062	0.0272	0.0829
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0062	0.0272	0.1561
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0272	0.0829
Giardia lamblia	Cathepsin B precursor	0.0062	0.0272	0.0829
Plasmodium falciparum	serine repeat antigen 2	0.0062	0.0272	0.1561
Loa Loa (eye worm)	RNA binding protein	0.0067	0.0325	0.0325
Echinococcus granulosus	cathepsin L	0.0062	0.0272	0.0272
Brugia malayi	cathepsin F-like cysteine proteinase	0.0062	0.0272	0.0272
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0272	0.0829
Schistosoma mansoni	cathepsin C	0.0062	0.0272	0.0272
Leishmania major	cathepsin L-like protease	0.0253	0.2226	0.6784
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.012	0.0868	0.0868
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0062	0.0272	0.0829
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0062	0.0272	0.0272
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0038	0.003	0.0092
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0062	0.0272	0.0829
Toxoplasma gondii	cathepsin CPC2	0.0062	0.0272	0.0829
Giardia lamblia	Cathepsin B-like cysteine proteinase 3 precursor	0.0062	0.0272	0.0829
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0062	0.0272	0.0272
Plasmodium vivax	vivapain-2	0.0206	0.1742	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0038	0.003	0.0011
Echinococcus multilocularis	cathepsin L cysteine protease	0.0206	0.1742	0.1742
Plasmodium vivax	serine-repeat antigen (SERA)	0.0062	0.0272	0.1561
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0062	0.0272	0.0272
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0206	0.1742	0.1742
Schistosoma mansoni	hypothetical protein	0.0036	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0272	0.0272
Chlamydia trachomatis	pyruvate kinase	0.0035	0	0.5
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0173	0.1404	0.1404
Giardia lamblia	Cathepsin L precursor	0.0062	0.0272	0.0829
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0173	0.1404	0.1404
Echinococcus multilocularis	cathepsin L cysteine protease	0.0206	0.1742	0.1742
Brugia malayi	Cathepsin L-like precursor	0.0206	0.1742	0.1742
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0062	0.0272	0.0829
Brugia malayi	Papain family cysteine protease containing protein	0.0062	0.0272	0.0272
Schistosoma mansoni	cathepsin F (C01 family)	0.0206	0.1742	0.1742
Brugia malayi	Cathepsin L-like precursor	0.0206	0.1742	0.1742
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0206	0.1742	0.531
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0206	0.1742	0.1742
Plasmodium falciparum	serine repeat antigen 4	0.0062	0.0272	0.1561
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0253	0.2226	0.6784
Echinococcus granulosus	tar DNA binding protein	0.0067	0.0325	0.0325
Brugia malayi	Cathepsin L-like precursor	0.0206	0.1742	0.1742
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0206	0.1742	0.531
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0062	0.0272	0.0829
Leishmania major	cathepsin L-like protease	0.0206	0.1742	0.531
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0272	0.0829
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0272	0.0272
Toxoplasma gondii	cathepsin CPC1	0.0062	0.0272	0.0829
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0035	0	0.5
Trypanosoma cruzi	cysteine proteinase, putative	0.012	0.0868	0.0868
Trypanosoma cruzi	cysteine proteinase, putative	0.012	0.0868	0.0868
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0038	0.003	0.0092
Onchocerca volvulus		0.0206	0.1742	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0356	0.3281	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0253	0.2226	0.6784
Brugia malayi	Papain family cysteine protease containing protein	0.0206	0.1742	0.1742
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0206	0.1742	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0206	0.1742	0.1742
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0206	0.1742	0.531
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0206	0.1742	0.1742
Brugia malayi	Papain family cysteine protease containing protein	0.0062	0.0272	0.0272
Onchocerca volvulus		0.0062	0.0272	0.1561
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1146	0.1146
Schistosoma mansoni	alpha-glucosidase	0.0149	0.1158	0.1158
Giardia lamblia	Cysteine protease	0.0062	0.0272	0.0829
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0272	0.0829
Trypanosoma cruzi	major cysteine proteinase, putative	0.0109	0.0756	0.0756
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0062	0.0272	0.1561
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.012	0.0868	0.2645
Trypanosoma cruzi	cysteine protease, putative	0.012	0.0868	0.0868
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1014	1	1
Brugia malayi	Cathepsin L-like precursor	0.0206	0.1742	0.1742
Leishmania major	cathepsin L-like protease	0.0206	0.1742	0.531
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0272	0.0272
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1014	1	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0028	0.0028
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0062	0.0272	0.0829
Trichomonas vaginalis	alpha-glucosidase, putative	0.0038	0.003	0.0092
Plasmodium falciparum	serine repeat antigen 1	0.0062	0.0272	0.1561
Entamoeba histolytica	cysteine proteinase, putative	0.0148	0.1146	0.6522
Entamoeba histolytica	cysteine protease, putative	0.0062	0.0272	0.1422
Brugia malayi	Cathepsin L-like precursor	0.0148	0.1146	0.1146
Entamoeba histolytica	cysteine proteinase, putative	0.012	0.0868	0.4899
Entamoeba histolytica	cysteine protease, putative	0.012	0.0868	0.4899
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.012	0.0868	0.2645
Giardia lamblia	Cathepsin L precursor	0.0062	0.0272	0.0829
Schistosoma mansoni	cathepsin S (C01 family)	0.0062	0.0272	0.0272
Echinococcus granulosus	cathepsin l1	0.0148	0.1146	0.1146
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0325	0.0325
Entamoeba histolytica	cysteine protease, putative	0.012	0.0868	0.4899
Echinococcus granulosus	cathepsin L	0.012	0.0868	0.0868
Giardia lamblia	Cathepsin B precursor	0.0356	0.3281	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0206	0.1742	0.1742
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0206	0.1742	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0062	0.0272	0.0272
Trypanosoma cruzi	cysteine peptidase, putative	0.0253	0.2226	0.2226
Giardia lamblia	Cathepsin B precursor	0.0062	0.0272	0.0829
Trichomonas vaginalis	alpha-glucosidase, putative	0.0038	0.003	0.0092
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.0272	0.0829
Plasmodium falciparum	serine repeat antigen 9	0.0062	0.0272	0.1561
Entamoeba histolytica	cysteine proteinase, putative	0.0206	0.1742	1
Plasmodium vivax	unspecified product	0.012	0.0868	0.4982
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0356	0.3281	0.3281
Leishmania major	cathepsin L-like protease	0.0206	0.1742	0.531
Entamoeba histolytica	cysteine protease, putative	0.012	0.0868	0.4899
Entamoeba histolytica	cysteine protease, putative	0.0062	0.0272	0.1422
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0356	0.3281	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0062	0.0272	0.0829
Brugia malayi	Cathepsin L-like precursor	0.0206	0.1742	0.1742
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.012	0.0868	0.2645
Echinococcus multilocularis	cysteine protease	0.0206	0.1742	0.1742
Brugia malayi	cathepsin F-like cysteine proteinase	0.0058	0.0234	0.0234
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1742	0.531
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0062	0.0272	0.1561
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0272	0.0272
Plasmodium vivax	serine-repeat antigen (SERA)	0.0062	0.0272	0.1561
Entamoeba histolytica	hypothetical protein	0.0062	0.0272	0.1422
Giardia lamblia	Hypothetical protein	0.0062	0.0272	0.0829
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1146	0.1146
Echinococcus multilocularis	cysteine protease	0.0206	0.1742	0.1742
Schistosoma mansoni	cathepsin F (C01 family)	0.0206	0.1742	0.1742
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0272	0.0829
Giardia lamblia	Hypothetical protein	0.0062	0.0272	0.0829
Onchocerca volvulus		0.0206	0.1742	1
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0062	0.0272	0.0272
Entamoeba histolytica	cysteine proteinase, putative	0.012	0.0868	0.4899
Giardia lamblia	Cathepsin B precursor	0.0062	0.0272	0.0829
Entamoeba histolytica	cysteine protease, putative	0.0206	0.1742	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.1146	0.3493
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0356	0.3281	0.3281
Entamoeba histolytica	cysteine protease, putative	0.012	0.0868	0.4899
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0062	0.0272	0.0829
Giardia lamblia	Cysteine protease	0.0062	0.0272	0.0829
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0253	0.2226	0.6784
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0253	0.2226	0.6784
Brugia malayi	cathepsin L precursor	0.0062	0.0272	0.0272
Echinococcus granulosus	cathepsin b	0.1014	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.003	0.003
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0206	0.1742	0.531
Echinococcus multilocularis	cathepsin L	0.012	0.0868	0.0868
Plasmodium falciparum	serine repeat antigen 6	0.0062	0.0272	0.1561
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1742	0.531
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0062	0.0272	0.1561
Toxoplasma gondii	cathepsin CPL	0.0206	0.1742	0.531
Onchocerca volvulus	Cathepsin L homolog	0.0206	0.1742	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1742	0.531
Echinococcus multilocularis	cathepsin L	0.0062	0.0272	0.0272
Giardia lamblia	Cathepsin B precursor	0.0062	0.0272	0.0829
Schistosoma mansoni	hypothetical protein	0.018	0.1475	0.1475
Leishmania major	alpha glucosidase II subunit, putative	0.0038	0.003	0.0092
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0062	0.0272	0.0272
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0253	0.2226	0.6784
Entamoeba histolytica	cysteine proteinase 1, putative	0.012	0.0868	0.4899
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0062	0.0272	0.0272
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0206	0.1742	0.531
Entamoeba histolytica	cysteine protease, putative	0.012	0.0868	0.4899
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1742	0.531
Onchocerca volvulus		0.0148	0.1146	0.6579
Echinococcus granulosus	cysteine protease	0.012	0.0868	0.0868
Echinococcus multilocularis	cathepsin b	0.1014	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0062	0.0272	0.0829
Schistosoma mansoni	cathepsin F (C01 family)	0.0148	0.1146	0.1146
Echinococcus granulosus	cathepsin b	0.1014	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0206	0.1742	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0062	0.0272	0.0272
Schistosoma mansoni	alpha glucosidase	0.0038	0.003	0.003
Giardia lamblia	Cathepsin L precursor	0.0062	0.0272	0.0829
Entamoeba histolytica	cysteine protease, putative	0.0062	0.0272	0.1422
Entamoeba histolytica	cysteine proteinase, putative	0.012	0.0868	0.4899
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0062	0.0272	0.1561
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1742	0.531
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0038	0.003	0.0092
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0325	0.0325
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0062	0.0272	0.0272
Plasmodium vivax	vivapain-1	0.012	0.0868	0.4982
Trichomonas vaginalis	alpha-glucosidase, putative	0.0038	0.003	0.0092
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1014	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.012	0.0868	0.0868
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0272	0.0272
Giardia lamblia	Cathepsin L-like protease	0.0062	0.0272	0.0829
Echinococcus granulosus	cathepsin l1	0.0206	0.1742	0.1742
Entamoeba histolytica	cysteine protease, putative	0.012	0.0868	0.4899
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0062	0.0272	0.1561
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0062	0.0272	0.1561
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0062	0.0272	0.0272
Brugia malayi	TAR-binding protein	0.0067	0.0325	0.0325
Toxoplasma gondii	cathepsin B	0.0356	0.3281	1
Trichomonas vaginalis	conserved hypothetical protein	0.0062	0.0272	0.0829
Schistosoma mansoni	cathepsin B (C01 family)	0.0062	0.0272	0.0272
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1742	0.531
Onchocerca volvulus		0.0206	0.1742	1
Trypanosoma cruzi	cysteine peptidase, putative	0.012	0.0868	0.0868
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0206	0.1742	0.531
Entamoeba histolytica	cysteine protease, putative	0.012	0.0868	0.4899
Trypanosoma cruzi	cruzipain precursor, putative	0.0253	0.2226	0.2226
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0179	0.0179
Leishmania major	cathepsin L-like protease	0.0206	0.1742	0.531
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.003	0.003
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.0272	0.0829
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0179	0.0179
Loa Loa (eye worm)	ctsf protein	0.0206	0.1742	0.1742
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1742	0.531
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1742	0.531
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0234	0.0234
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0008	0.0008
Giardia lamblia	Cathepsin L precursor	0.0062	0.0272	0.0829
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1014	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 75 nM	Antimalarial activity against Plasmodium falciparum K1	ChEMBL.	17722901
ED50 (functional)	= 95 nM	Antimalarial activity against Plasmodium falciparum 3D7	ChEMBL.	17722901
IC50 (binding)	= 2.7 nM	Inhibition of plasmodium falciparum protein farnesyltransferase by scintillation proximity assay	ChEMBL.	17722901
Inhibition (binding)	= 2 %	Inhibition of plasmodium falciparum protein farnesyltransferase at 5 nM by scintillation proximity assay	ChEMBL.	17722901
Inhibition (binding)	= 70 %	Inhibition of plasmodium falciparum protein farnesyltransferase at 0.5 nM by scintillation proximity assay	ChEMBL.	17722901
Inhibition (binding)	= 98 %	Inhibition of plasmodium falciparum protein farnesyltransferase at 50 nM by scintillation proximity assay	ChEMBL.	17722901

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: 492667

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 437761