TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 625.817 | Formula: C31H51N3O8S
H donors: 5 H acceptors: 7 LogP: 4.11 Rotable bonds: 19
Rule of 5 violations (Lipinski): 2
SMILES: O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)N[C@H]([C@H](CS(=O)(=O)C(C)C)O)CC1CCCCC1)C(O)C)Cc1ccccc1
InChi: 1S/C31H51N3O8S/c1-20(2)43(40,41)19-26(36)24(17-22-13-9-7-10-14-22)32-29(38)27(21(3)35)34-28(37)25(18-23-15-11-8-12-16-23)33-30(39)42-31(4,5)6/h8,11-12,15-16,20-22,24-27,35-36H,7,9-10,13-14,17-19H2,1-6H3,(H,32,38)(H,33,39)(H,34,37)/t21?,24-,25?,26-,27?/m0/s1
InChiKey: XTEOCWMPCKJLAB-HTXHVCGVSA-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
Mycobacterium leprae	Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0066	0.006
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0025	0.0086
Plasmodium vivax	acyl carrier protein, putative	0.0033	0.0066	0.268
Echinococcus granulosus	NADH dehydrogenase	0.0033	0.0066	0.023
Trichomonas vaginalis	NADH-ubiquinone oxidoreductase flavoprotein, putative	0.0479	0.2878	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0124	0.0636	0.2211
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0078	0.0348	0.1209
Mycobacterium leprae	conserved hypothetical protein	0.0033	0.0066	0.006
Brugia malayi	NADH dehydrogenase subunit 1, identical	0.008	0.0361	0.1255
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0025	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0025	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0636	0.2211
Schistosoma mansoni	cercarial elastase (S01 family)	0.0124	0.0636	0.2211
Plasmodium falciparum	plasmepsin I	0.0059	0.023	1
Brugia malayi	Trypsin family protein	0.0124	0.0636	0.2211
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0033	0.0066	0.006
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0033	0.0066	0.006
Loa Loa (eye worm)	animal heme peroxidase	0.0026	0.0025	0.0086
Loa Loa (eye worm)	blistered cuticle protein 3	0.0026	0.0025	0.0086
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0033	0.0066	0.268
Brugia malayi	Trypsin family protein	0.0124	0.0636	0.2211
Mycobacterium ulcerans	fatty-acid-CoA ligase FadD9	0.0033	0.0066	0.006
Brugia malayi	hypothetical protein	0.0324	0.1902	0.6607
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0059	0.023	0.0798
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0025	0.0086
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0033	0.0066	0.006
Onchocerca volvulus		0.0124	0.0636	0.4245
Onchocerca volvulus		0.0027	0.0029	0.0087
Brugia malayi	Trypsin-like protease protein 5	0.0124	0.0636	0.2211
Schistosoma mansoni	cercarial elastase (S01 family)	0.0124	0.0636	0.2211
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0099	0.0482	1
Echinococcus multilocularis	enteropeptidase	0.0124	0.0636	0.2211
Echinococcus multilocularis	glycoprotein Antigen 5	0.0124	0.0636	0.2211
Schistosoma mansoni	cercarial elastase (S01 family)	0.0124	0.0636	0.2211
Loa Loa (eye worm)	acyl carrier protein	0.0033	0.0066	0.023
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0025	0.0016	0.0057
Echinococcus granulosus	lamin dm0	0.0027	0.0029	0.0101
Brugia malayi	Animal haem peroxidase family protein	0.0026	0.0025	0.0086
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0033	0.0066	0.006
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0124	0.0636	0.2211
Leishmania major	acyl carrier protein, putative	0.0033	0.0066	0.0209
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0033	0.0066	0.006
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0025	0.0016	0.0057
Onchocerca volvulus	Fatty acid synthase homolog	0.0033	0.0066	0.0341
Echinococcus granulosus	L aminoadipate semialdehyde	0.0084	0.0385	0.1339
Loa Loa (eye worm)	animal heme peroxidase	0.0026	0.0025	0.0086
Schistosoma mansoni	cercarial elastase (S01 family)	0.0124	0.0636	0.2211
Echinococcus multilocularis	protein patched	0.0043	0.0126	0.0438
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0033	0.0066	0.023
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0025	0.0086
Schistosoma mansoni	cathepsin D (A01 family)	0.0174	0.0954	0.3315
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0033	0.0066	0.1258
Echinococcus granulosus	glycoprotein Antigen 5	0.0124	0.0636	0.2211
Mycobacterium tuberculosis	Meromycolate extension acyl carrier protein AcpM	0.0033	0.0066	0.006
Loa Loa (eye worm)	trypsin family protein	0.0124	0.0636	0.2211
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0186	0.0647
Echinococcus multilocularis	lamin dm0	0.0027	0.0029	0.0101
Mycobacterium leprae	Possible regulatory protein	0.0025	0.0016	0.001
Onchocerca volvulus		0.0084	0.0385	0.2526
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0299	0.1743	0.6057
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0033	0.0066	0.006
Echinococcus granulosus	AMP dependent ligase	0.0033	0.0066	0.023
Mycobacterium ulcerans	hypothetical protein	0.0033	0.0066	0.006
Echinococcus granulosus	single minded 2	0.0079	0.0354	0.123
Brugia malayi	AMP-binding enzyme family protein	0.0033	0.0066	0.023
Brugia malayi	Animal haem peroxidase family protein	0.0026	0.0025	0.0086
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0033	0.0066	0.023
Echinococcus granulosus	lamin	0.0027	0.0029	0.0101
Mycobacterium tuberculosis	Proteasome alpha subunit PrcA; assembles with beta subunit PrcB.	0.161	1	1
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0059	0.023	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0025	0.0086
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0033	0.0066	0.006
Loa Loa (eye worm)	animal heme peroxidase	0.0026	0.0025	0.0086
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0124	0.0636	0.2211
Onchocerca volvulus	Dual oxidase homolog	0.0026	0.0025	0.0057
Echinococcus granulosus	peroxidasin	0.0026	0.0025	0.0086
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0124	0.0636	0.2211
Mycobacterium ulcerans	acyl carrier protein	0.0033	0.0066	0.006
Brugia malayi	Trypsin family protein	0.0124	0.0636	0.2211
Onchocerca volvulus	Acyl carrier protein, mitochondrial homolog	0.0033	0.0066	0.0341
Trypanosoma brucei	Acyl carrier protein, mitochondrial	0.0033	0.0066	0.0209
Plasmodium vivax	aspartyl proteinase, putative	0.0059	0.023	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0025	0.0086
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0033	0.0066	0.006
Echinococcus multilocularis	peroxidasin	0.0026	0.0025	0.0086
Onchocerca volvulus		0.0033	0.0066	0.0341
Mycobacterium ulcerans	putative regulatory protein	0.0072	0.0309	0.0303
Onchocerca volvulus		0.0033	0.0066	0.0341
Brugia malayi	hypoxia-induced factor 1	0.0299	0.1743	0.6057
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0033	0.0066	0.006
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0059	0.023	0.0798
Schistosoma mansoni	peroxidasin	0.0026	0.0025	0.0086
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0101	0.0492	0.1709
Schistosoma mansoni	cathepsin D (A01 family)	0.0174	0.0954	0.3315
Schistosoma mansoni	lamin	0.0027	0.0029	0.0101
Onchocerca volvulus		0.0124	0.0636	0.4245
Onchocerca volvulus		0.0124	0.0636	0.4245
Schistosoma mansoni	patched 1	0.0043	0.0126	0.0438
Schistosoma mansoni	voltage-gated potassium channel	0.0085	0.0393	0.1365
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0029	0.0101
Mycobacterium ulcerans	polyketide synthase MbtD	0.0033	0.0066	0.006
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0025	0.0086
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0033	0.0066	0.006
Echinococcus granulosus	expressed conserved protein	0.0093	0.0445	0.1544
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0124	0.0636	0.2211
Mycobacterium tuberculosis	Possible formate hydrogenlyase HycD (FHL)	0.008	0.0361	0.0355
Echinococcus multilocularis	lamin	0.0027	0.0029	0.0101
Schistosoma mansoni	cercarial elastase (S01 family)	0.0124	0.0636	0.2211
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.0126	0.0438
Brugia malayi	Blistered cuticle protein 3	0.0026	0.0025	0.0086
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0033	0.0066	0.006
Echinococcus granulosus	intermediate filament protein	0.0027	0.0029	0.0101
Trichomonas vaginalis	NADH-ubiquinone oxidoreductase flavoprotein, putative	0.0479	0.2878	1
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0124	0.0636	0.2211
Mycobacterium ulcerans	polyketide synthase	0.0033	0.0066	0.006
Wolbachia endosymbiont of Brugia malayi	NADH dehydrogenase I subunit F	0.0479	0.2878	1
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.0025	0.0016	0.0057
Echinococcus granulosus	Protein patched homolog 1	0.0043	0.0126	0.0438
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0025	0.0086
Echinococcus multilocularis	transmembrane protease serine 3	0.0124	0.0636	0.2211
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0033	0.0066	0.006
Brugia malayi	Trypsin family protein	0.0124	0.0636	0.2211
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0033	0.0066	0.006
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0124	0.0636	0.2211
Wolbachia endosymbiont of Brugia malayi	NADH dehydrogenase subunit H	0.0297	0.1727	0.5993
Echinococcus multilocularis	expressed conserved protein	0.0093	0.0445	0.1544
Mycobacterium ulcerans	polyketide synthase	0.0033	0.0066	0.006
Onchocerca volvulus	Peroxidase homolog	0.0026	0.0025	0.0057
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0033	0.0066	0.006
Schistosoma mansoni	cercarial elastase (S01 family)	0.0124	0.0636	0.2211
Brugia malayi	Animal haem peroxidase family protein	0.0026	0.0025	0.0086
Schistosoma mansoni	hypothetical protein	0.0124	0.0636	0.2211
Onchocerca volvulus	Peroxidasin homolog	0.0026	0.0025	0.0057
Mycobacterium leprae	Polyketide synthase Pks13	0.0033	0.0066	0.006
Loa Loa (eye worm)	acyl carrier protein	0.0033	0.0066	0.023
Onchocerca volvulus		0.0026	0.0025	0.0057
Onchocerca volvulus		0.0124	0.0636	0.4245
Leishmania major	protein kinase, putative	0.0025	0.0016	0.0035
Loa Loa (eye worm)	phosphopantetheine attachment site family protein	0.0033	0.0066	0.023
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0033	0.0066	0.006
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0029	0.0101
Echinococcus granulosus	Mastin	0.0124	0.0636	0.2211
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0033	0.0066	0.1258
Brugia malayi	Animal haem peroxidase family protein	0.0026	0.0025	0.0086
Loa Loa (eye worm)	NADH-ubiquinone oxidoreductase 51 kDa subunit	0.0479	0.2878	1
Schistosoma mansoni	hypothetical protein	0.0124	0.0636	0.2211
Echinococcus granulosus	Niemann Pick C1 protein	0.0142	0.075	0.2607
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.0025	0.0016	0.0057
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0033	0.0066	0.006
Mycobacterium ulcerans	membrane protein ComEA	0.0107	0.0531	0.0525
Mycobacterium tuberculosis	Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F)	0.0479	0.2878	0.2874
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0033	0.0066	0.006
Schistosoma mansoni	cercarial elastase (S01 family)	0.0124	0.0636	0.2211
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0084	0.0385	0.1339
Trypanosoma cruzi	NADH-ubiquinone oxidoreductase, mitochondrial, putative	0.0479	0.2878	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0033	0.0066	0.006
Plasmodium vivax	plasmepsin IV, putative	0.0059	0.023	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0066	0.023
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0033	0.0066	0.023
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0033	0.0066	0.023
Onchocerca volvulus	Chorion peroxidase homolog	0.0026	0.0025	0.0057
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0029	0.0101
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0033	0.0066	0.268
Schistosoma mansoni	hypothetical protein	0.0041	0.0116	0.0404
Toxoplasma gondii	aspartyl protease ASP1	0.0059	0.023	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0099	0.0482	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0636	0.2211
Onchocerca volvulus		0.0026	0.0025	0.0057
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0078	0.0348	0.1209
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0025	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0636	0.2211
Plasmodium falciparum	acyl carrier protein	0.0033	0.0066	0.268
Echinococcus multilocularis	NADH dehydrogenase (ubiquinone) flavoprotein 1	0.0479	0.2878	1
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0033	0.0066	0.006
Brugia malayi	hypothetical protein	0.008	0.0361	0.1255
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0033	0.0066	0.006
Mycobacterium tuberculosis	Probable acyl carrier protein AcpA (ACP)	0.0033	0.0066	0.006
Toxoplasma gondii	type I fatty acid synthase, putative	0.0033	0.0066	0.268
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0025	0.0016	0.0035
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0025	0.0016	0.1674
Brugia malayi	Animal haem peroxidase family protein	0.0026	0.0025	0.0086
Onchocerca volvulus		0.0124	0.0636	0.4245
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0033	0.0066	0.006
Echinococcus granulosus	enteropeptidase	0.0124	0.0636	0.2211
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0029	0.0101
Echinococcus granulosus	sterol regulatory element binding protein	0.0043	0.0126	0.0438
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0025	0.0086
Echinococcus multilocularis	musashi	0.0027	0.0029	0.0101
Mycobacterium ulcerans	polyketide synthase Pks9	0.0033	0.0066	0.006
Chlamydia trachomatis	acyl carrier protein	0.0033	0.0066	1
Schistosoma mansoni	single-minded	0.0097	0.0467	0.1623
Schistosoma mansoni	hypothetical protein	0.0041	0.0116	0.0404
Echinococcus multilocularis	Niemann Pick C1 protein	0.0142	0.075	0.2607
Mycobacterium tuberculosis	Polyketide synthetase MbtD (polyketide synthase)	0.0033	0.0066	0.006
Onchocerca volvulus	Peroxidasin homolog	0.0026	0.0025	0.0057
Treponema pallidum	acyl carrier protein	0.0033	0.0066	0.1141
Schistosoma mansoni	cercarial elastase (S01 family)	0.0124	0.0636	0.2211
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0033	0.0066	0.006
Schistosoma mansoni	peroxidasin	0.0026	0.0025	0.0086
Echinococcus multilocularis	sterol regulatory element binding protein	0.0043	0.0126	0.0438
Onchocerca volvulus		0.0026	0.0025	0.0057
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0033	0.0066	0.006
Schistosoma mansoni	NADH dehydrogenase subunit 1	0.008	0.0361	0.1255
Mycobacterium ulcerans	formate hydrogenlyase HycD	0.008	0.0361	0.0355
Onchocerca volvulus		0.008	0.0361	0.2361
Mycobacterium ulcerans	acyl carrier protein	0.0033	0.0066	0.006
Onchocerca volvulus		0.0072	0.0309	0.2003
Leishmania major	protein kinase, putative	0.0035	0.0081	0.026
Brugia malayi	NADH-ubiquinone oxidoreductase 51 kDa subunit, mitochondrial precursor	0.0479	0.2878	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0025	0.0086
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0033	0.0066	0.006
Schistosoma mansoni	acyl carrier protein	0.0033	0.0066	0.023
Mycobacterium tuberculosis	Probable polyketide synthase Pks17	0.0033	0.0066	0.006
Mycobacterium ulcerans	hypothetical protein	0.0124	0.0636	0.063
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0033	0.0066	0.006
Brugia malayi	acyl carrier protein, mitochondrial precursor, putative	0.0033	0.0066	0.023
Trypanosoma brucei	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	0.0479	0.2878	1
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0126	0.0383
Onchocerca volvulus		0.0033	0.0066	0.0341
Echinococcus multilocularis	AMP dependent ligase	0.0033	0.0066	0.023
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0066	0.006
Echinococcus granulosus	NADH dehydrogenase ubiquinone flavoprotein 1	0.0479	0.2878	1
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0033	0.0066	0.006
Echinococcus granulosus	NADH dehydrogenase subunit 1	0.0297	0.1727	0.6001
Mycobacterium ulcerans	proteasome PrcA	0.161	1	1
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0084	0.0385	0.1339
Echinococcus granulosus	Niemann Pick C1 protein	0.0099	0.0482	0.1676
Schistosoma mansoni	hypothetical protein	0.0297	0.1727	0.6001
Brugia malayi	intermediate filament protein	0.0027	0.0029	0.0101
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0033	0.0066	0.006
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0033	0.0066	0.006
Plasmodium falciparum	plasmepsin II	0.0059	0.023	1
Mycobacterium tuberculosis	Acyl carrier protein (ACP) MbtL	0.0033	0.0066	0.006
Plasmodium falciparum	plasmepsin IV	0.0059	0.023	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0033	0.0066	0.006
Brugia malayi	PAS domain containing protein	0.0097	0.0467	0.1623
Schistosoma mansoni	aryl hydrocarbon receptor	0.0097	0.0467	0.1623
Wolbachia endosymbiont of Brugia malayi	acyl carrier protein	0.0033	0.0066	0.0209
Echinococcus multilocularis	transfer RNA-Lys	0.0072	0.0309	0.1073
Echinococcus multilocularis	Niemann Pick C1 protein	0.0099	0.0482	0.1676
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0033	0.0066	0.006
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0078	0.0348	0.1209
Trypanosoma cruzi	NADH-ubiquinone oxidoreductase, mitochondrial, putative	0.0479	0.2878	1
Mycobacterium ulcerans	NADH dehydrogenase I subunit F	0.0479	0.2878	0.2874
Schistosoma mansoni	NADH-ubiquinone oxidoreductase	0.0479	0.2878	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0029	0.0101
Treponema pallidum	nitrogen fixation protein (rnfC)	0.0107	0.0531	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0124	0.0636	0.2211
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0283	0.0984
Echinococcus granulosus	transmembrane protease serine 3	0.0124	0.0636	0.2211
Brugia malayi	Peroxidasin	0.0026	0.0025	0.0086
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0084	0.0385	0.1339
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0124	0.0636	0.2211
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0636	0.2211
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0073	0.0316	0.1046
Onchocerca volvulus		0.0124	0.0636	0.4245
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0016	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0385	0.1339
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0073	0.0316	0.1046
Mycobacterium ulcerans	NADH dehydrogenase subunit H	0.0297	0.1727	0.1722
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0124	0.0636	0.2211
Echinococcus granulosus	aryl hydrocarbon receptor	0.0025	0.0016	0.0057
Loa Loa (eye worm)	animal heme peroxidase	0.0026	0.0025	0.0086
Onchocerca volvulus	Peroxidase homolog	0.0026	0.0025	0.0057
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0033	0.0066	0.006
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0059	0.023	0.0798
Onchocerca volvulus		0.0027	0.0029	0.0087
Toxoplasma gondii	type I fatty acid synthase, putative	0.0033	0.0066	0.268
Schistosoma mansoni	lamin	0.0027	0.0029	0.0101
Leishmania major	NADH-ubiquinone oxidoreductase, mitochondrial, putative	0.0479	0.2878	1
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0124	0.0636	0.2211
Schistosoma mansoni	hypothetical protein	0.0041	0.0116	0.0404
Mycobacterium ulcerans	acyl-CoA synthetase	0.0033	0.0066	0.006
Schistosoma mansoni	hypothetical protein	0.0041	0.0116	0.0404
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0033	0.0066	0.006
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0033	0.0066	0.006
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0025	0.0086
Brugia malayi	hypothetical protein	0.0124	0.0636	0.2211
Brugia malayi	hypothetical protein	0.0026	0.0025	0.0086
Brugia malayi	bHLH-PAS transcription factor	0.0072	0.0309	0.1073
Loa Loa (eye worm)	hypothetical protein	0.0059	0.023	0.0798
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0636	0.2211
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0033	0.0066	0.006
Trypanosoma brucei	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative	0.0479	0.2878	1
Brugia malayi	CHE-14 protein	0.0043	0.0126	0.0438
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0126	0.0438
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0025	0.0086
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0124	0.0636	0.2211
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0124	0.0636	0.2211
Mycobacterium ulcerans	non-ribosomal peptide synthetase	0.0033	0.0066	0.006
Mycobacterium ulcerans	polyketide synthase Pks13	0.0033	0.0066	0.006
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0026	0.009
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0124	0.0636	0.2211
Loa Loa (eye worm)	hypothetical protein	0.0324	0.1902	0.6607
Schistosoma mansoni	voltage-gated potassium channel	0.0085	0.0393	0.1365
Plasmodium falciparum	plasmepsin VI	0.0059	0.023	1
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0636	0.2211
Echinococcus multilocularis	NADH dehydrogenase	0.0033	0.0066	0.023
Brugia malayi	NADH dehydrogenase subunit 1	0.008	0.0361	0.1255
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0033	0.0066	0.006
Brugia malayi	Phosphopantetheine attachment site family protein	0.0033	0.0066	0.023
Echinococcus multilocularis	protein dispatched 1	0.0049	0.0164	0.0569
Echinococcus multilocularis	Mastin	0.0124	0.0636	0.2211
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0078	0.0348	0.1209
Trypanosoma cruzi	Acyl carrier protein, mitochondrial, putative	0.0033	0.0066	0.0174
Onchocerca volvulus	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial homolog	0.0257	0.1477	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0124	0.0636	0.2211
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0636	0.2211
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0059	0.023	0.0798
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0033	0.0066	0.006
Mycobacterium tuberculosis	Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H)	0.0297	0.1727	0.1722
Schistosoma mansoni	hypothetical protein	0.0033	0.0066	0.023
Echinococcus granulosus	acyl carrier protein mitochondrial	0.0033	0.0066	0.023
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0033	0.0066	0.006
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0107	0.0531	0.0525
Loa Loa (eye worm)	NADH dehydrogenase subunit 1	0.008	0.0361	0.1255
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0059	0.023	0.0746
Onchocerca volvulus		0.008	0.0361	0.2361
Brugia malayi	AMP-binding enzyme family protein	0.0033	0.0066	0.023
Toxoplasma gondii	acyl carrier protein ACP	0.0033	0.0066	0.268
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0033	0.0066	0.006
Schistosoma mansoni	cercarial elastase (S01 family)	0.0124	0.0636	0.2211
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0482	0.1676
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0033	0.0066	0.006
Echinococcus multilocularis	Acyl carrier protein, mitochondrial	0.0033	0.0066	0.023

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 8 nM	Evaluated in vitro for inhibitory potency against renin.	ChEMBL.	3118024
Inhibition (binding)	0 %	Evaluated for the percentage of inhibition of bovine cathepsin D at E-5M concentration; ND means no data	ChEMBL.	3118024
Inhibition (binding)	0 %	Evaluated for the percentage of inhibition of porcine pepsin at E-5M concentration; ND means no data	ChEMBL.	3118024

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: 206970

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 109392