TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 1030.88 | Formula: C47H50O26
H donors: 0 H acceptors: 11 LogP: 2.06 Rotable bonds: 27
Rule of 5 violations (Lipinski): 3
SMILES: CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(=O)C)c3c(c2)oc(c(c3=O)O[C@@H]2O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)c2ccc(cc2)OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
InChi: 1S/C47H50O26/c1-19(48)59-17-34-39(63-23(5)52)42(65-25(7)54)44(67-27(9)56)46(71-34)69-31-15-32(62-22(4)51)36-33(16-31)70-38(29-11-13-30(14-12-29)61-21(3)50)41(37(36)58)73-47-45(68-28(10)57)43(66-26(8)55)40(64-24(6)53)35(72-47)18-60-20(2)49/h11-16,34-35,39-40,42-47H,17-18H2,1-10H3/t34-,35-,39-,40-,42+,43+,44-,45-,46-,47+/m1/s1
InChiKey: NLVNWKWBXDAKIC-GHNQEIAISA-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)	hypothetical protein	0.0069	0.0167	0.1597
Schistosoma mansoni	chromobox protein	0.0068	0.0164	0.036
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0053	0.0116	0.0262
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0065	0.0153	0.1389
Echinococcus granulosus	peptidase Clp S14 family	0.0101	0.027	0.0619
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0164	0.2177
Brugia malayi	Bromodomain containing protein	0.0076	0.0191	0.1754
Trypanosoma cruzi	Peptide deformylase 2, putative	0.119	0.3782	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0058	0.0467
Loa Loa (eye worm)	histone methyltransferase	0.0018	0.0004	0.0035
Onchocerca volvulus		0.0041	0.0079	0.0573
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0053	0.0116	0.0262
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0058	0.0125
Onchocerca volvulus		0.0056	0.0125	0.1284
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0058	0.077
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0108	0.0293	0.0674
Echinococcus granulosus	histone lysine methyltransferase setb	0.0047	0.0096	0.0215
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.0754	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0101	0.027	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0058	0.0549
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0024	0.0022	0.029
Echinococcus granulosus	transcription factor Dp 1	0.0037	0.0066	0.0143
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.0476	0.6312
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.0504	0.6691
Onchocerca volvulus		0.0035	0.0058	0.0254
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0053	0.0116	0.1032
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0058	0.077
Leishmania major	hypothetical protein, conserved	0.0074	0.0184	0.0339
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0164	0.2177
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0153	0.0256
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0036	0.0073
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0058	0.0549
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0293	0.2801
Onchocerca volvulus		0.0232	0.0693	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0041	0.039
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0024	0.0022	0.029
Brugia malayi	Probable ClpP-like protease	0.0153	0.044	0.4161
Trypanosoma brucei	Peptide deformylase 2	0.119	0.3782	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.0754	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0058	0.0549
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0061	0.0143	0.0324
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.001	0.0089
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0053	0.0116	0.0058
Schistosoma mansoni	cpg binding protein	0.0061	0.0141	0.0307
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.0476	0.6312
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.0504	0.6691
Schistosoma mansoni	hypothetical protein	0.0794	0.2506	0.5836
Schistosoma mansoni	hypothetical protein	0.0108	0.0293	0.0661
Schistosoma mansoni	bromodomain containing protein	0.0065	0.0154	0.0337
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0053	0.0116	0.0073
Plasmodium falciparum	ataxin-2 like protein, putative	0.0074	0.0184	0.0069
Schistosoma mansoni	hypothetical protein	0.033	0.101	0.2338
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0101	0.027	0.0213
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0101	0.027	0.0213
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0153	0.044	0.0384
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0341	0.1044	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0108	0.0293	0.0674
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0164	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0058	0.0549
Leishmania major	polypeptide deformylase-like protein, putative	0.119	0.3782	1
Toxoplasma gondii	ABC1 family protein	0.0035	0.0058	0.0015
Onchocerca volvulus		0.0035	0.0058	0.0254
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0077	0.1025
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0058	0.077
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0153	0.044	0.1017
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0068	0.0644
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0047	0.0096	0.02
Echinococcus multilocularis	geminin	0.033	0.101	0.2348
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0065	0.0153	0.1463
Echinococcus multilocularis	cpg binding protein	0.0061	0.0141	0.032
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0153	0.044	0.0384
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.119	0.3782	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0024	0.0022	0.029
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0058	0.0125
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.0754	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0025	0.0026	0.0038
Echinococcus granulosus	chromobox protein 1	0.0068	0.0164	0.0373
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.0068	0.0407
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.0476	0.6312
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0024	0.0022	0.029
Loa Loa (eye worm)	hypothetical protein	0.0153	0.044	0.421
Echinococcus granulosus	polycomb protein SCMH1	0.0047	0.0096	0.0213
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0153	0.044	0.0399
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0043	0.0077
Onchocerca volvulus		0.0047	0.0096	0.0832
Brugia malayi	beta-lactamase family protein	0.0035	0.0058	0.0467
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0058	0.077
Loa Loa (eye worm)	hypothetical protein	0.0341	0.1044	1
Schistosoma mansoni	hypothetical protein	0.0108	0.0293	0.0661
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0077	0.055
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0024	0.0022	0.029
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0032	0.0426
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0065	0.0153	0.0256
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0047	0.0096	0.0832
Brugia malayi	Pre-SET motif family protein	0.0204	0.0603	0.5734
Schistosoma mansoni	zinc finger protein	0.0022	0.0017	0.0016
Schistosoma mansoni	cpg binding protein	0.0061	0.0141	0.0307
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0153	0.0256
Loa Loa (eye worm)	hypothetical protein	0.004	0.0073	0.0694
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0096	0.0909
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0065	0.0153	0.0335
Echinococcus multilocularis	zinc finger protein	0.0022	0.0017	0.003
Echinococcus multilocularis	dnaJ subfamily B	0.0794	0.2506	0.5842
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0058	0.0125
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0065	0.0153	0.0348
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0068	0.0901
Brugia malayi	latrophilin 2 splice variant baaae	0.0233	0.0696	0.6639
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0109	0.0297	0.0255
Schistosoma mansoni	hypothetical protein	0.0233	0.0696	0.1605
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0153	0.044	0.0328
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.0322	0.3075
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0066	0.0623
Schistosoma mansoni	hypothetical protein	0.0108	0.0293	0.0661
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0056	0.0125	0.1192
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0033	0.0052	0.0112
Echinococcus granulosus	microtubule associated protein 2	0.1347	0.4286	1
Trichomonas vaginalis	esterase, putative	0.0035	0.0058	0.077
Trypanosoma cruzi	PAB1-binding protein , putative	0.0074	0.0184	0.0339
Echinococcus granulosus	zinc finger protein	0.0022	0.0017	0.003
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0061	0.0143	0.0324
Brugia malayi	Pre-SET motif family protein	0.003	0.0043	0.0322
Treponema pallidum	polypeptide deformylase (def)	0.3119	1	1
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0053	0.0116	0.0249
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.119	0.3782	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.0476	0.6312
Echinococcus multilocularis	transcription factor Dp 1	0.0037	0.0066	0.0143
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0108	0.0293	0.0674
Echinococcus granulosus	fetal alzheimer antigen falz	0.0025	0.0026	0.0051
Loa Loa (eye worm)	mbt repeat family protein	0.0047	0.0096	0.0909
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0153	0.0256
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0096	0.02
Echinococcus granulosus	cpg binding protein	0.0061	0.0141	0.032
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0065	0.0153	0.5
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0047	0.0096	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0184	0.1758
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0341	0.1044	1
Onchocerca volvulus	Glucosylceramidase homolog	0.0165	0.0476	0.6666
Brugia malayi	beta-lactamase family protein	0.0035	0.0058	0.0467
Schistosoma mansoni	peptidase Clp (S14 family)	0.0153	0.044	0.1005
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0164	0.0373
Echinococcus multilocularis	microtubule associated protein 2	0.1347	0.4286	1
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0003	0.004
Echinococcus granulosus	dnaJ subfamily B	0.0794	0.2506	0.5842
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0077	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0058	0.0549
Trypanosoma brucei	PAB1-binding protein , putative	0.0074	0.0184	0.0339
Schistosoma mansoni	microtubule-associated protein tau	0.1347	0.4286	1
Echinococcus granulosus	geminin	0.033	0.101	0.2348
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0043	0.009
Echinococcus multilocularis	polycomb protein SCMH1	0.0047	0.0096	0.0213
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0024	0.0022	0.029
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0184	0.0538	0.1245
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.3119	1	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0052	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0096	0.0918
Plasmodium falciparum	ataxin-2 like protein, putative	0.0074	0.0184	0.0069
Brugia malayi	CXXC zinc finger family protein	0.0056	0.0125	0.1116
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0058	0.0125
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0024	0.0022	0.029
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0058	0.0549
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.3119	1	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0153	0.044	0.0328
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0119	0.033	0.0748
Brugia malayi	Heterochromatin protein 1	0.0068	0.0164	0.1493
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.0476	0.6312
Echinococcus granulosus	GPCR family 2	0.0108	0.0293	0.0674
Onchocerca volvulus		0.0035	0.0058	0.0254
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0153	0.044	0.0384
Brugia malayi	Bromodomain containing protein	0.0037	0.0066	0.054
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0184	0.0538	0.1245
Brugia malayi	mbt repeat family protein	0.0047	0.0096	0.0831
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0058	0.0112
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.0754	1
Schistosoma mansoni	hypothetical protein	0.033	0.101	0.2338
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.0164	0.1565
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0108	0.0293	0.2801
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0058	0.0112
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0204	0.0603	0.577
Schistosoma mansoni	hypothetical protein	0.0283	0.0859	0.1985
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0108	0.0293	0.0674
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0058	0.077
Brugia malayi	hypothetical protein	0.0048	0.01	0.0869
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0096	0.02
Brugia malayi	mbt repeat family protein	0.0047	0.0096	0.0831
Toxoplasma gondii	LsmAD domain-containing protein	0.0074	0.0184	0.0142
Echinococcus granulosus	histone acetyltransferase MYST2	0.0053	0.0116	0.0262
Schistosoma mansoni	chromobox protein	0.0068	0.0164	0.036
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0068	0.0901
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0108	0.0293	0.2739
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0101	0.027	0.0213
Mycobacterium ulcerans	peptide deformylase	0.3119	1	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0153	0.044	0.0399
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0032	0.0426
Schistosoma mansoni	cpg binding protein	0.0056	0.0125	0.0269
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.0322	0.3075
Brugia malayi	chromobox protein homolog 3	0.0038	0.0068	0.0563
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.0754	1
Trichomonas vaginalis	set domain proteins, putative	0.0232	0.0693	0.9194
Brugia malayi	MH2 domain containing protein	0.0117	0.0322	0.3016
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0153	0.044	0.1017
Toxoplasma gondii	hypothetical protein	0.3119	1	1
Plasmodium falciparum	peptide deformylase	0.3119	1	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0025	0.0026	0.0051
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.0476	0.6312
Toxoplasma gondii	hypothetical protein	0.0053	0.0116	0.0073
Brugia malayi	hypothetical protein	0.0074	0.0184	0.1687
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.3119	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0047	0.0096	0.0202
Echinococcus granulosus	chromobox protein 1	0.0068	0.0164	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0058	0.0549
Trypanosoma brucei	Polypeptide deformylase 1	0.119	0.3782	1
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0065	0.0153	0.0348
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0116	0.1109
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0153	0.044	0.0399
Brugia malayi	Latrophilin receptor protein 2	0.0108	0.0293	0.2739
Brugia malayi	PHD-finger family protein	0.0027	0.0034	0.0233
Trypanosoma cruzi	PAB1-binding protein , putative	0.0074	0.0184	0.0339
Echinococcus granulosus	SAM and MBT domain containing protein	0.0047	0.0096	0.0213
Plasmodium vivax	ataxin-2 like protein, putative	0.0074	0.0184	0.0142
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.0665	0.0611
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0251	0.0754	0.7218
Loa Loa (eye worm)	hypothetical protein	0.0233	0.0696	0.6668
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0047	0.0096	0.0213
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0018	0.0003	0.004
Brugia malayi	beta-lactamase	0.0035	0.0058	0.0467
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0041	0.0079	0.0161
Schistosoma mansoni	hypothetical protein	0.0108	0.0293	0.0661
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0047	0.0096	0.0202
Trypanosoma cruzi	Peptide deformylase 2, putative	0.119	0.3782	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.0476	0.6312
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0058	0.0015
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0251	0.0754	0.7194
Echinococcus multilocularis	GPCR, family 2	0.0108	0.0293	0.0674
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0024	0.0022	0.029
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0341	0.1044	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0033	0.0052	0.0112
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.0754	1
Loa Loa (eye worm)	MBCTL1	0.0053	0.0116	0.1109
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0058	0.0549
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0053	0.0116	0.0262
Plasmodium vivax	peptide deformylase, putative	0.3119	1	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0089	0.085

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (ADMET)		Toxicity in BALB/c mouse assessed as mortality at 5 mg/kg, ip	ChEMBL.	21466157
Activity (functional)	= 23 %	Antitrypanosomal activity against blood trypomastigote forms of Trypanosoma cruzi infected in BALB/c mouse assessed as decrease in parasitemia at 5 mg/kg, ip administered 7 days post infection once daily for 5 days measured after 40 days post infection by microhematocrit method relative to control	ChEMBL.	21466157
Activity (functional)	= 85 %	Antitrypanosomal activity against metacyclic forms of Trypanosoma cruzi infected in vero cells assessed as decrease in trypomastigotes at IC25 concentration after 12 hrs	ChEMBL.	21466157
IC50 (functional)	= 17.2 uM	Antitrypanosomal activity against epimastigote form of Trypanosoma cruzi assessed as inhibition of parasite growth	ChEMBL.	21466157
Inhibition (functional)	= 82 %	Antitrypanosomal activity against metacyclic forms of Trypanosoma cruzi infected in vero cells assessed as inhibition of infection at IC25 concentration after 12 hrs	ChEMBL.	21466157

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Trypanosoma cruzi	ChEMBL23	21466157

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: CHEMBL1774170

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1524761