TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 522.589 | Formula: C29H34N2O7
H donors: 0 H acceptors: 2 LogP: 3.18 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: COC(=O)C1=C(C[C@H]2N([C@@H]1CC2)C(=O)N1CCc2c(C1)cc(c(c2)OC)OC)c1ccc(c(c1)OC)OC
InChi: 1S/C29H34N2O7/c1-34-23-9-6-18(13-24(23)35-2)21-15-20-7-8-22(27(21)28(32)38-5)31(20)29(33)30-11-10-17-12-25(36-3)26(37-4)14-19(17)16-30/h6,9,12-14,20,22H,7-8,10-11,15-16H2,1-5H3/t20-,22+/m0/s1
InChiKey: GJBFFHHZJXHKOB-RBBKRZOGSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0176	0.1771	0.1879
Plasmodium falciparum	serine repeat antigen 9	0.0031	0.0126	0.0267
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.0661	0.1872
Trypanosoma cruzi	cysteine peptidase, putative	0.0148	0.1446	0.8029
Entamoeba histolytica	cysteine proteinase, putative	0.0148	0.1446	1
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0438	0.4732	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.0911	0.5143
Loa Loa (eye worm)	MH2 domain-containing protein	0.0133	0.1282	0.7238
Trypanosoma brucei	hypothetical protein, conserved	0.004	0.0231	0.0827
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0438	0.4732	0.5262
Leishmania major	hypothetical protein, conserved	0.004	0.0231	0.1131
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0438	0.4732	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0031	0.0126	0.0031
Leishmania major	hypothetical protein, conserved	0.003	0.0121	0.0332
Plasmodium falciparum	serine repeat antigen 2	0.0031	0.0126	0.0267
Entamoeba histolytica	cysteine protease, putative	0.0078	0.0661	0.4274
Echinococcus granulosus	cathepsin L	0.0078	0.0661	0.0611
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0031	0.0126	0.0267
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0121	0.0256
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.1446	0.4617
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0126	0.0712
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0185	0.1874	0.3794
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0148	0.1446	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0148	0.1446	0.1508
Mycobacterium leprae	Probable lipase LipE	0.004	0.0231	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0078	0.0661	0.3273
Loa Loa (eye worm)	hypothetical protein	0.01	0.0911	0.5143
Echinococcus granulosus	cathepsin b	0.0176	0.1771	0.1879
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0312	0.176
Onchocerca volvulus		0.0148	0.1446	1
Brugia malayi	Cathepsin L-like precursor	0.0148	0.1446	0.8082
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0185	0.1874	0.396
Onchocerca volvulus	Cathepsin L homolog	0.0031	0.0126	0.0369
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0047	0.0312	0.1392
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0148	0.1446	0.4617
Brugia malayi	cathepsin L-like cysteine proteinase	0.0031	0.0126	0.0298
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0176	0.1771	0.1879
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0126	0.0712
Plasmodium falciparum	serine repeat antigen 5	0.0031	0.0126	0.0267
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0231	0.0119
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0176	0.1771	0.1879
Plasmodium vivax	vivapain-2	0.0148	0.1446	0.3055
Entamoeba histolytica	cysteine proteinase, putative	0.0078	0.0661	0.4274
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.01	0.0911	0.2745
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.1446	0.4617
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0148	0.1446	0.1336
Entamoeba histolytica	cysteine proteinase 1, putative	0.0078	0.0661	0.4274
Echinococcus multilocularis	geminin	0.0189	0.1913	0.181
Loa Loa (eye worm)	hypothetical protein	0.004	0.0231	0.1302
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0231	0.0365
Entamoeba histolytica	cysteine protease, putative	0.0078	0.0661	0.4274
Plasmodium vivax	serine-repeat antigen (SERA)	0.0031	0.0126	0.0267
Mycobacterium tuberculosis	Conserved protein	0.004	0.0231	0.0861
Entamoeba histolytica	cysteine protease, putative	0.0031	0.0126	0.0369
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.004	0.0231	0.0861
Trypanosoma cruzi	cruzipain precursor, putative	0.0047	0.0312	0.1155
Toxoplasma gondii	cathepsin CPL	0.0148	0.1446	0.2873
Loa Loa (eye worm)	hypothetical protein	0.004	0.0231	0.1302
Entamoeba histolytica	cysteine proteinase, putative	0.0078	0.0661	0.4274
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0148	0.1446	1
Entamoeba histolytica	cysteine protease, putative	0.0078	0.0661	0.4274
Plasmodium vivax	vivapain-2	0.0148	0.1446	0.3055
Onchocerca volvulus		0.0031	0.0126	0.0369
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.0661	0.1872
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.1446	0.4617
Brugia malayi	cathepsin B-like cysteine proteinase	0.0176	0.1771	1
Brugia malayi	cathepsin L-like precursor	0.01	0.0911	0.4927
Brugia malayi	hypothetical protein	0.003	0.0121	0.0269
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0031	0.0126	0.0267
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0148	0.1446	0.4617
Loa Loa (eye worm)	hypothetical protein	0.004	0.0231	0.1302
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0031	0.0126	0.0298
Brugia malayi	Papain family cysteine protease containing protein	0.0031	0.0126	0.0298
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0031	0.0126	0.0712
Leishmania major	cathepsin L-like protease	0.0148	0.1446	1
Brugia malayi	Cathepsin L-like precursor	0.0148	0.1446	0.8082
Leishmania major	cathepsin L-like protease	0.0148	0.1446	1
Giardia lamblia	Cathepsin B precursor	0.0076	0.0635	0.1104
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0076	0.0427
Onchocerca volvulus	Cathepsin L homolog	0.0148	0.1446	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0031	0.0126	0.0031
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0148	0.1446	0.4617
Loa Loa (eye worm)	fibroinase	0.0148	0.1446	0.8164
Brugia malayi	beta-lactamase family protein	0.004	0.0231	0.0914
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0076	0.0282
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0078	0.0661	0.3273
Echinococcus granulosus	beta LACTamase domain containing family member	0.004	0.0231	0.0119
Leishmania major	cathepsin L-like protease	0.0148	0.1446	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0661	0.4077
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0283	0.2984	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.1446	0.4617
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.1446	0.4617
Onchocerca volvulus	Cathepsin L homolog	0.0148	0.1446	1
Plasmodium falciparum	serine repeat antigen 6	0.0031	0.0126	0.0267
Plasmodium falciparum	serine repeat antigen 4	0.0031	0.0126	0.0267
Echinococcus multilocularis	cysteine protease	0.0148	0.1446	0.1336
Leishmania major	cathepsin L-like protease	0.0148	0.1446	1
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0031	0.0126	0.0712
Trypanosoma cruzi	cysteine peptidase, putative	0.0148	0.1446	0.8029
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.004	0.0231	0.0861
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0148	0.1446	0.4617
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0148	0.1446	1
Entamoeba histolytica	cysteine protease, putative	0.0148	0.1446	1
Leishmania major	cysteine peptidase A (CPA)	0.0148	0.1446	1
Toxoplasma gondii	cathepsin CPC2	0.0185	0.1874	0.3801
Loa Loa (eye worm)	cysteine protease	0.0148	0.1446	0.8164
Brugia malayi	MH2 domain containing protein	0.0133	0.1282	0.7115
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0121	0.0256
Plasmodium vivax	unspecified product	0.0031	0.0126	0.0267
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0076	0.3277
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0148	0.1446	0.3055
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0231	0.0365
Leishmania major	cathepsin L-like protease	0.0148	0.1446	1
Plasmodium vivax	vivapain-1	0.0078	0.0661	0.1397
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0076	0.0635	0.4082
Loa Loa (eye worm)	ctsf protein	0.0148	0.1446	0.8164
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0076	0.0282
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0031	0.0126	0.0267
Trypanosoma cruzi	cysteine peptidase, putative	0.0047	0.0312	0.1155
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0231	0.0119
Entamoeba histolytica	cysteine protease, putative	0.0078	0.0661	0.4274
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0126	0.0712
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0078	0.0661	0.1397
Echinococcus granulosus	cathepsin L cysteine protease	0.0078	0.0661	0.0611
Entamoeba histolytica	cysteine proteinase, putative	0.0078	0.0661	0.4274
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0031	0.0126	0.0712
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.004	0.0231	0.1302
Onchocerca volvulus		0.004	0.0231	0.1131
Plasmodium vivax	hypothetical protein, conserved	0.004	0.0231	0.0487
Loa Loa (eye worm)	hypothetical protein	0.004	0.0231	0.1302
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.002	0	0.5
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0031	0.0126	0.0267
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0256	0.2677	1
Schistosoma mansoni	cathepsin F (C01 family)	0.01	0.0911	0.0896
Entamoeba histolytica	cysteine protease, putative	0.0078	0.0661	0.4274
Entamoeba histolytica	cysteine protease, putative	0.0078	0.0661	0.4274
Mycobacterium ulcerans	esterase/lipase LipP	0.004	0.0231	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0176	0.1771	0.1879
Plasmodium falciparum	serine repeat antigen 8	0.0031	0.0126	0.0267
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0148	0.1446	0.3055
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0031	0.0126	0.0267
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0078	0.0661	0.0611
Onchocerca volvulus		0.0148	0.1446	1
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0438	0.4732	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0076	0.0635	0.3114
Entamoeba histolytica	cysteine protease, putative	0.0078	0.0661	0.4274
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0148	0.1446	0.8164
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0076	0.3277
Onchocerca volvulus		0.0148	0.1446	1
Schistosoma mansoni	cathepsin s	0.0047	0.0312	0.0212
Echinococcus granulosus	cathepsin b	0.0176	0.1771	0.1879
Echinococcus multilocularis	cathepsin L	0.0078	0.0661	0.0542
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0126	0.0712
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0078	0.0661	0.0611
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0078	0.0661	0.0611
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0076	0.3277
Brugia malayi	Papain family cysteine protease containing protein	0.0078	0.0661	0.3454
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0148	0.1446	1
Entamoeba histolytica	cysteine proteinase, putative	0.0148	0.1446	1
Brugia malayi	Cathepsin L-like precursor	0.01	0.0911	0.4927
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.1446	0.4617
Entamoeba histolytica	cysteine proteinase, putative	0.01	0.0911	0.6096
Echinococcus multilocularis	cathepsin b	0.0176	0.1771	0.1666
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0031	0.0126	0.0267
Onchocerca volvulus		0.0148	0.1446	1
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0031	0.0126	0.0369
Onchocerca volvulus	Cathepsin F homolog	0.0148	0.1446	1
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0231	0.0365
Brugia malayi	cathepsin F-like cysteine proteinase	0.0047	0.0312	0.1392
Loa Loa (eye worm)	hypothetical protein	0.003	0.0121	0.0684
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.01	0.0911	0.2745
Mycobacterium ulcerans	beta-lactamase	0.004	0.0231	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0231	0.0365
Mycobacterium tuberculosis	Probable esterase LipL	0.004	0.0231	0.0861
Entamoeba histolytica	cysteine proteinase, putative	0.0078	0.0661	0.4274
Entamoeba histolytica	cysteine protease, putative	0.0078	0.0661	0.4274
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0076	0.0635	0.178
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0148	0.1446	0.8164
Echinococcus granulosus	cathepsin l1	0.01	0.0911	0.0896
Echinococcus multilocularis	cysteine protease	0.0148	0.1446	0.1336
Mycobacterium tuberculosis	Probable lipase LipD	0.004	0.0231	0.0861
Entamoeba histolytica	cysteine protease, putative	0.0078	0.0661	0.4274
Echinococcus granulosus	microtubule associated protein 2	0.0804	0.8879	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0148	0.1446	0.4617
Echinococcus multilocularis	beta LACTamase domain containing family member	0.004	0.0231	0.0106
Brugia malayi	Cathepsin L-like precursor	0.0148	0.1446	0.8082
Entamoeba histolytica	cysteine protease, putative	0.0031	0.0126	0.0369
Entamoeba histolytica	cysteine protease, putative	0.0031	0.0126	0.0369
Loa Loa (eye worm)	hypothetical protein	0.004	0.0231	0.1302
Leishmania major	cathepsin L-like protease	0.0148	0.1446	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.1446	0.4617
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0438	0.4732	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0076	0.0427
Loa Loa (eye worm)	hypothetical protein	0.0176	0.1771	1
Brugia malayi	Cathepsin L-like precursor	0.01	0.0911	0.4927
Brugia malayi	cathepsin F-like cysteine proteinase	0.0031	0.0126	0.0298
Mycobacterium tuberculosis	Probable lipase LipE	0.004	0.0231	0.0861
Loa Loa (eye worm)	transcription factor SMAD2	0.0133	0.1282	0.7238
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0076	0.0635	0.3878
Brugia malayi	fibroinase precursor	0.0031	0.0126	0.0298
Trypanosoma cruzi	cysteine peptidase, putative	0.0148	0.1446	0.8029
Trichomonas vaginalis	esterase, putative	0.004	0.0231	0.0365
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0076	0.0635	0.0581
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0076	0.3277
Entamoeba histolytica	hypothetical protein	0.0031	0.0126	0.0369
Toxoplasma gondii	ABC1 family protein	0.004	0.0231	0.0237
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.1446	0.4617
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.1446	0.4617
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.01	0.0911	0.4787
Brugia malayi	Cathepsin L-like precursor	0.0148	0.1446	0.8082
Mycobacterium leprae	conserved hypothetical protein	0.004	0.0231	1
Giardia lamblia	Cathepsin B precursor	0.0076	0.0635	0.1104
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0231	0.0664
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.1446	0.4617
Brugia malayi	Papain family cysteine protease containing protein	0.0078	0.0661	0.3454
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0185	0.1874	0.396
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0148	0.1446	1
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0031	0.0126	0.0267
Entamoeba histolytica	cysteine protease, putative	0.0078	0.0661	0.4274
Mycobacterium tuberculosis	Conserved protein	0.004	0.0231	0.0861
Onchocerca volvulus		0.004	0.0231	0.1131
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0231	0.0365
Trypanosoma cruzi	cysteine peptidase, putative	0.0078	0.0661	0.3273
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.004	0.0231	0.0914
Entamoeba histolytica	cysteine protease, putative	0.0078	0.0661	0.4274
Onchocerca volvulus		0.004	0.0231	0.1131
Plasmodium vivax	unspecified product	0.0078	0.0661	0.1397
Onchocerca volvulus		0.0148	0.1446	1
Entamoeba histolytica	cysteine protease, putative	0.0078	0.0661	0.4274
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0031	0.0126	0.0298
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0076	0.3277
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0031	0.0126	0.0298
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0148	0.1446	0.4617
Loa Loa (eye worm)	hypothetical protein	0.004	0.0231	0.1302
Mycobacterium tuberculosis	Probable hydrolase	0.004	0.0231	0.0861
Giardia lamblia	Cathepsin B precursor	0.0076	0.0635	0.1104
Entamoeba histolytica	cysteine proteinase 2	0.0078	0.0661	0.4274
Onchocerca volvulus		0.0148	0.1446	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.01	0.0911	0.4927
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0148	0.1446	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0185	0.1874	0.3794
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.1446	0.4617
Schistosoma mansoni	hypothetical protein	0.0189	0.1913	0.2041
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0438	0.4732	1
Leishmania major	cathepsin L-like protease	0.0148	0.1446	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0148	0.1446	0.1336
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0047	0.0312	0.176
Trypanosoma cruzi	cysteine protease, putative	0.0078	0.0661	0.3273
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0148	0.1446	1
Plasmodium vivax	vivapain-3	0.0078	0.0661	0.1397
Leishmania major	cathepsin L-like protease	0.0148	0.1446	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0076	0.3277
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0438	0.4732	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.004	0.0231	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0148	0.1446	0.3055
Brugia malayi	Papain family cysteine protease containing protein	0.0031	0.0126	0.0298
Schistosoma mansoni	hypothetical protein	0.0189	0.1913	0.2041
Mycobacterium ulcerans	lipase LipD	0.004	0.0231	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0078	0.0661	0.3273
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0126	0.0712
Mycobacterium tuberculosis	Conserved protein	0.004	0.0231	0.0861
Echinococcus granulosus	cysteine protease	0.0078	0.0661	0.0611
Brugia malayi	beta-lactamase family protein	0.004	0.0231	0.0914
Brugia malayi	Papain family cysteine protease containing protein	0.0031	0.0126	0.0298
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0148	0.1446	0.4617
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0031	0.0126	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0312	0.176
Toxoplasma gondii	cathepsin B	0.0076	0.0635	0.1114
Echinococcus granulosus	cathepsin l1	0.0148	0.1446	0.1508
Schistosoma mansoni	microtubule-associated protein tau	0.0804	0.8879	1
Brugia malayi	Papain family cysteine protease containing protein	0.0148	0.1446	0.8082
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1446	0.8164
Onchocerca volvulus		0.01	0.0911	0.6096
Echinococcus multilocularis	cathepsin L cysteine protease	0.0148	0.1446	0.1336
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0148	0.1446	0.1508
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0076	0.3277
Entamoeba histolytica	cysteine protease, putative	0.0078	0.0661	0.4274
Brugia malayi	cathepsin L precursor	0.0031	0.0126	0.0298
Brugia malayi	Cathepsin L-like precursor	0.0148	0.1446	0.8082
Giardia lamblia	Encystation-specific protease	0.0185	0.1874	0.3794
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.1446	0.4617
Loa Loa (eye worm)	cathepsin B	0.0076	0.0635	0.3585
Schistosoma mansoni	cathepsin F (C01 family)	0.0148	0.1446	0.1508
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.1446	0.4617
Entamoeba histolytica	cysteine protease, putative	0.0031	0.0126	0.0369
Loa Loa (eye worm)	hypothetical protein	0.01	0.0911	0.5143
Echinococcus granulosus	geminin	0.0189	0.1913	0.2041
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0121	0.0256
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0148	0.1446	1
Brugia malayi	beta-lactamase	0.004	0.0231	0.0914
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0148	0.1446	0.4617
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0148	0.1446	0.4617
Entamoeba histolytica	cysteine protease, putative	0.0031	0.0126	0.0369
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.1446	0.4617
Plasmodium falciparum	serine repeat antigen 7	0.0031	0.0126	0.0267
Plasmodium vivax	serine-repeat antigen (SERA)	0.0031	0.0126	0.0267
Mycobacterium ulcerans	hypothetical protein	0.004	0.0231	1
Echinococcus multilocularis	cathepsin b	0.0176	0.1771	0.1666
Plasmodium vivax	unspecified product	0.0047	0.0312	0.0659
Echinococcus multilocularis	microtubule associated protein 2	0.0804	0.8879	0.8865
Plasmodium falciparum	serine repeat antigen 1	0.0031	0.0126	0.0267
Plasmodium falciparum	serine repeat antigen 3	0.0031	0.0126	0.0267
Entamoeba histolytica	cysteine protease, putative	0.0031	0.0126	0.0369
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0148	0.1446	0.1508
Echinococcus multilocularis	cathepsin L cysteine protease	0.0148	0.1446	0.1336
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0312	0.176
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0076	0.0427
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0231	0.0664
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0126	0.0712
Onchocerca volvulus		0.0148	0.1446	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.004	0.0231	0.0861
Brugia malayi	Cathepsin L-like precursor	0.0047	0.0312	0.1392
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0148	0.1446	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0148	0.1446	0.4617
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0148	0.1446	1
Brugia malayi	Cathepsin L-like precursor	0.0148	0.1446	0.8082
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0148	0.1446	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0661	0.4077
Trypanosoma cruzi	cysteine peptidase, putative	0.0148	0.1446	0.8029
Loa Loa (eye worm)	beta-lactamase	0.004	0.0231	0.1302
Trypanosoma cruzi	cruzipain precursor, putative	0.0148	0.1446	0.8029
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0076	0.3277
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0148	0.1446	0.4617
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0176	0.1771	1
Toxoplasma gondii	cathepsin CPC1	0.0438	0.4732	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	4.1475 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	5.8584 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.081 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	112.2018 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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

Annotated phenotypes:

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

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

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

External resources for this compound

ChEMBL: CHEMBL1729743

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1547566