TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 590.258 | Formula: C29H52ClN3O5S
H donors: 3 H acceptors: 2 LogP: 4.23 Rotable bonds: 19
Rule of 5 violations (Lipinski): 2
SMILES: COCCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@@H]([C@H](C[C@H](C(=O)NCCN1CCSCC1)C)O)N.Cl
InChi: 1S/C29H51N3O5S.ClH/c1-21(2)24(18-23-7-8-27(36-5)28(19-23)37-14-6-13-35-4)20-25(30)26(33)17-22(3)29(34)31-9-10-32-11-15-38-16-12-32;/h7-8,19,21-22,24-26,33H,6,9-18,20,30H2,1-5H3,(H,31,34);1H/t22-,24+,25+,26+;/m1./s1
InChiKey: YPSUHSJDGQSJFE-RQWUYHMCSA-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	renin	Starlite/ChEMBL	References
Callithrix jacchus	Renin	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Cryptosporidium hominis	aspartyl protease precursor	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin VI	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma japonicum	ko:K01379 cathepsin D [EC3.4.23.5], putative	Get druggable targets OG5_126885	All targets in OG5_126885
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium vivax	plasmepsin IV, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium vivax	aspartyl proteinase, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin I	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Loa Loa (eye worm)	aspartic protease BmAsp-2	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin IV	Get druggable targets OG5_126885	All targets in OG5_126885
Toxoplasma gondii	aspartyl protease ASP1	Get druggable targets OG5_126885	All targets in OG5_126885
Cryptosporidium parvum	membrane bound aspartyl proteinase with a signal peptide plus transmembrane domain	Get druggable targets OG5_126885	All targets in OG5_126885
Candida albicans	vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C)	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium berghei	plasmepsin IV	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium knowlesi	plasmepsin IV, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Neospora caninum	Renin, related	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	cathepsin D (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma japonicum	Cathepsin D precursor, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Candida albicans	vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C)	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	plasmepsin	Get druggable targets OG5_126885	All targets in OG5_126885
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	Get druggable targets OG5_126885	All targets in OG5_126885
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	cathepsin D (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium berghei	plasmepsin VI	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Neospora caninum	Pepsinogen A1, related	Get druggable targets OG5_126885	All targets in OG5_126885
Theileria parva	pepsinogen, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium knowlesi	aspartyl protease, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin II	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Theileria parva	cathepsin E, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	Get druggable targets OG5_126885	All targets in OG5_126885
Babesia bovis	eukaryotic aspartyl protease family protein	Get druggable targets OG5_126885	All targets in OG5_126885

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	plasmepsin X	renin	406 aa	352 aa	26.4 %
Neospora caninum	hypothetical protein	Renin	400 aa	340 aa	32.6 %
Dictyostelium discoideum	hypothetical protein	Renin	400 aa	363 aa	22.0 %
Candida albicans	secretory aspartyl proteinase SAP5p	Renin	400 aa	347 aa	24.5 %
Plasmodium knowlesi	aspartyl protease, putative	Renin	400 aa	375 aa	25.9 %
Plasmodium berghei	plasmepsin VII	Renin	400 aa	389 aa	26.0 %
Plasmodium yoelii	Eukaryotic aspartyl protease, putative	Renin	400 aa	338 aa	26.3 %
Candida albicans	secretory aspartyl proteinase SAP5p	Renin	400 aa	347 aa	24.5 %
Babesia bovis	aspartyl protease, putative	Renin	400 aa	354 aa	25.7 %
Plasmodium berghei	plasmepsin X	Renin	400 aa	383 aa	25.3 %
Candida albicans	secretory aspartyl proteinase SAP4p	Renin	400 aa	372 aa	25.5 %
Neospora caninum	Cathepsin D enzyme (EC 3.4.23.5), related	Renin	400 aa	364 aa	31.0 %
Candida albicans	secretory aspartyl proteinase SAP6p	Renin	400 aa	355 aa	26.8 %
Dictyostelium discoideum	hypothetical protein	Renin	400 aa	352 aa	21.9 %
Candida albicans	secretory aspartyl proteinase SAP10p, related to SAP9p	Renin	400 aa	356 aa	21.6 %
Plasmodium falciparum	plasmepsin VII	Renin	400 aa	426 aa	23.7 %
Candida albicans	secretory aspartyl proteinase SAP4p	Renin	400 aa	372 aa	25.5 %
Schistosoma japonicum	Lysosomal aspartic protease precursor, putative	Renin	400 aa	326 aa	32.8 %
Candida albicans	secretory aspartyl proteinase SAP8p	Renin	400 aa	342 aa	26.3 %
Plasmodium vivax	aspartyl protease, putative	Renin	400 aa	349 aa	28.1 %
Onchocerca volvulus	Sphingomyelin phosphodiesterase 1 homolog	Renin	400 aa	398 aa	37.2 %
Babesia bovis	aspartyl protease, putative	Renin	400 aa	398 aa	23.9 %
Plasmodium knowlesi	eukaryotic aspartyl protease, putative	Renin	400 aa	352 aa	28.7 %
Toxoplasma gondii	aspartyl protease ASP3	Renin	400 aa	335 aa	32.8 %
Candida albicans	secretory aspartyl proteinase SAP7p	Renin	400 aa	374 aa	25.4 %
Plasmodium falciparum	plasmepsin X	Renin	400 aa	338 aa	26.6 %
Onchocerca volvulus		Renin	400 aa	385 aa	27.3 %
Candida albicans	secretory aspartyl proteinase SAP10p, related to SAP9p	Renin	400 aa	356 aa	21.6 %
Candida albicans	secretory aspartyl proteinase SAP8p	Renin	400 aa	342 aa	26.3 %
Loa Loa (eye worm)	aspartic protease BmAsp-1	Renin	400 aa	400 aa	26.8 %
Cryptosporidium parvum	secreted pepsinogen like aspartyl protease having a signal peptide	Renin	400 aa	407 aa	23.1 %
Plasmodium vivax	aspartyl protease, putative	Renin	400 aa	374 aa	25.4 %
Candida albicans	secretory aspartyl proteinase SAP7p	Renin	400 aa	374 aa	25.4 %
Candida albicans	secretory aspartyl proteinase SAP6p	Renin	400 aa	355 aa	26.8 %
Plasmodium falciparum	plasmepsin III	Renin	400 aa	336 aa	29.8 %
Toxoplasma gondii	aspartyl protease	Renin	400 aa	417 aa	29.5 %
Drosophila melanogaster	CG31926 gene product from transcript CG31926-RB	Renin	400 aa	388 aa	31.2 %
Cryptosporidium parvum	AT hook motif protein, putative	Renin	400 aa	399 aa	21.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0108	0.0177
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0037	0.0049	0.0997
Leishmania major	beta tubulin	0.0028	0.0014	0.0709
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0049	0.0997
Loa Loa (eye worm)	RNA binding protein	0.0125	0.0401	0.7106
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.0192	0.0336
Toxoplasma gondii	aspartyl protease ASP1	0.0118	0.0371	1
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0056	0.0125	0.0209
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0073	0.0192	0.3401
Mycobacterium tuberculosis	Probable lipase LipD	0.0073	0.0192	0.0068
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0049	0.0066
Plasmodium vivax	hypothetical protein, conserved	0.0073	0.0192	0.517
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0049	0.2567
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.0401	0.0729
Leishmania major	beta tubulin	0.0028	0.0014	0.0709
Brugia malayi	TAR-binding protein	0.0125	0.0401	0.7106
Schistosoma mansoni	microtubule-associated protein tau	0.1367	0.5333	1
Brugia malayi	hypothetical protein	0.0028	0.0013	0.0234
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0037	0.0049	0.0997
Brugia malayi	RNA recognition motif domain containing protein	0.0125	0.0401	0.7106
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0167	0.0564	0.1035
Schistosoma mansoni	alpha-glucosidase	0.0143	0.0472	0.0862
Toxoplasma gondii	beta-1 tubulin, putative	0.0028	0.0014	0.0367
Leishmania major	beta tubulin	0.0028	0.0014	0.0709
Leishmania major	beta tubulin	0.0028	0.0014	0.0709
Mycobacterium tuberculosis	Probable esterase LipL	0.0073	0.0192	0.0068
Plasmodium falciparum	plasmepsin VII	0.0028	0.0013	0.0356
Schistosoma mansoni	cathepsin D (A01 family)	0.0348	0.1284	0.239
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0073	0.0192	0.0068
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0049	1
Onchocerca volvulus		0.0073	0.0192	0.6569
Loa Loa (eye worm)	tubulin beta-2A chain	0.0028	0.0014	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0192	0.3401
Loa Loa (eye worm)	BEN-1 protein	0.0028	0.0014	0.0241
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.0125	0.0208
Echinococcus multilocularis	tar DNA binding protein	0.0125	0.0401	0.0728
Brugia malayi	beta-lactamase	0.0073	0.0192	0.3401
Loa Loa (eye worm)	TAR-binding protein	0.0125	0.0401	0.7106
Entamoeba histolytica	hypothetical protein	0.0037	0.0049	0.98
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0192	0.3401
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0073	0.0192	0.0068
Leishmania major	beta tubulin	0.0028	0.0014	0.0709
Plasmodium vivax	tubulin beta chain, putative	0.0028	0.0014	0.0367
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0037	0.0049	0.0873
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0192	0.4986
Leishmania major	beta tubulin	0.0028	0.0014	0.0709
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0118	0.0371	0.0672
Trypanosoma brucei	beta tubulin	0.0028	0.0014	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0013	0.0234
Echinococcus granulosus	tar DNA binding protein	0.0125	0.0401	0.0728
Plasmodium vivax	aspartyl protease, putative	0.0028	0.0013	0.0356
Mycobacterium tuberculosis	3-dehydroquinate dehydratase AroD (AROQ) (3-dehydroquinase) (type II dhqase)	0.2542	1	1
Leishmania major	beta tubulin	0.0028	0.0014	0.0709
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0049	0.0997
Giardia lamblia	Beta tubulin	0.0028	0.0014	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0465	0.1752	0.1648
Mycobacterium tuberculosis	Probable lipase LipE	0.0073	0.0192	0.0068
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0052	0.011	0.1942
Plasmodium falciparum	plasmepsin IV	0.0118	0.0371	1
Plasmodium falciparum	plasmepsin X	0.0028	0.0013	0.0356
Trypanosoma brucei	hypothetical protein, conserved	0.0073	0.0192	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0108	0.0177
Loa Loa (eye worm)	aspartyl protease 6	0.0028	0.0013	0.0234
Toxoplasma gondii	ABC1 family protein	0.0073	0.0192	0.517
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0013	0.0234
Plasmodium vivax	plasmepsin V, putative	0.0028	0.0013	0.0356
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0167	0.0564	1
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0028	0.0013	0.0234
Brugia malayi	hypothetical protein	0.0037	0.0049	0.086
Leishmania major	beta tubulin	0.0028	0.0014	0.0709
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0192	0.4986
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0049	0.2567
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0073	0.0192	0.3401
Brugia malayi	beta-tubulin, identical	0.0028	0.0014	0.0241
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0037	0.0049	0.0997
Mycobacterium ulcerans	hypothetical protein	0.0073	0.0192	0.0068
Echinococcus granulosus	microtubule associated protein 2	0.1367	0.5333	1
Plasmodium falciparum	plasmepsin II	0.0118	0.0371	1
Trypanosoma brucei	beta tubulin	0.0028	0.0014	0.0709
Plasmodium falciparum	plasmepsin VIII, putative	0.0028	0.0013	0.0356
Echinococcus multilocularis	microtubule associated protein 2	0.1367	0.5333	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0118	0.0371	0.0673
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.0401	0.0729
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0073	0.0192	0.0068
Plasmodium vivax	aspartyl protease, putative	0.0028	0.0013	0.0356
Brugia malayi	beta-lactamase family protein	0.0073	0.0192	0.3401
Giardia lamblia	Beta tubulin	0.0028	0.0014	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0108	0.0177
Schistosoma mansoni	tubulin subunit beta	0.0028	0.0014	0.0001
Echinococcus granulosus	beta LACTamase domain containing family member	0.0073	0.0192	0.0335
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.0401	0.0729
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0192	0.4986
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0049	1
Leishmania major	beta tubulin	0.0028	0.0014	0.0709
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0167	0.0564	0.1035
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0028	0.0013	0.0356
Brugia malayi	RNA binding protein	0.0125	0.0401	0.7106
Toxoplasma gondii	aspartyl protease	0.0028	0.0013	0.0356
Schistosoma mansoni	tubulin subunit beta	0.0028	0.0014	0.0001
Trypanosoma brucei	beta tubulin	0.0028	0.0014	0.0709
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0118	0.0371	1
Toxoplasma gondii	beta-tubulin, putative	0.0028	0.0014	0.0367
Schistosoma mansoni	hypothetical protein	0.0037	0.0049	0.0066
Trypanosoma cruzi	hypothetical protein, conserved	0.0073	0.0192	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0049	0.98
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0108	0.0177
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0192	0.0068
Brugia malayi	hypothetical protein	0.0028	0.0013	0.0234
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0192	0.0068
Schistosoma mansoni	tubulin subunit beta	0.0028	0.0014	0.0001
Leishmania major	beta tubulin	0.0028	0.0014	0.0709
Leishmania major	beta tubulin	0.0028	0.0014	0.0709
Giardia lamblia	Beta tubulin	0.0028	0.0014	0.5
Leishmania major	hypothetical protein, conserved	0.0073	0.0192	1
Onchocerca volvulus		0.0096	0.0285	1
Leishmania major	beta tubulin	0.0028	0.0014	0.0709
Onchocerca volvulus		0.0073	0.0192	0.6569
Trichomonas vaginalis	esterase, putative	0.0073	0.0192	0.4986
Trypanosoma brucei	beta tubulin	0.0028	0.0014	0.0709
Loa Loa (eye worm)	tubulin beta chain	0.0028	0.0014	0.0241
Trypanosoma brucei	glucosidase, putative	0.0037	0.0049	0.2567
Leishmania major	beta tubulin	0.0028	0.0014	0.0709
Echinococcus granulosus	lysosomal alpha glucosidase	0.0167	0.0564	0.1035
Plasmodium falciparum	tubulin beta chain	0.0028	0.0014	0.0367
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0056	0.0125	0.649
Loa Loa (eye worm)	beta-lactamase	0.0073	0.0192	0.3401
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0037	0.0049	0.1327
Plasmodium vivax	aspartyl proteinase, putative	0.0118	0.0371	1
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.0125	0.0208
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0125	0.0401	0.7106
Leishmania major	beta tubulin	0.0028	0.0014	0.0709
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.0108	0.1907
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0108	0.0177
Plasmodium falciparum	plasmepsin I	0.0118	0.0371	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.0028	0.0014	0.0241
Onchocerca volvulus		0.0073	0.0192	0.6569
Leishmania major	beta tubulin	0.0028	0.0014	0.0709
Toxoplasma gondii	aspartyl protease ASP3	0.0028	0.0013	0.0356
Brugia malayi	Pepsin A precursor	0.0028	0.0013	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0192	0.3401
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0108	0.0177
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0037	0.0049	0.0067
Trichomonas vaginalis	penicillin-binding protein, putative	0.0073	0.0192	0.4986
Brugia malayi	Tubulin beta-1 chain	0.0028	0.0014	0.0241
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0028	0.0013	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0192	0.3401
Schistosoma mansoni	alpha-glucosidase	0.0143	0.0472	0.0862
Mycobacterium tuberculosis	Probable hydrolase	0.0073	0.0192	0.0068
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0073	0.0192	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0192	0.3401
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.0108	0.1907
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.0192	0.0336
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0049	0.0066
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0049	0.0997
Mycobacterium ulcerans	esterase/lipase LipP	0.0073	0.0192	0.0068
Brugia malayi	aspartic protease BmAsp-1, identical	0.0028	0.0013	0.0234
Plasmodium falciparum	plasmepsin VI	0.0118	0.0371	1
Leishmania major	alpha glucosidase II subunit, putative	0.0037	0.0049	0.2567
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0049	0.0066
Plasmodium falciparum	plasmepsin III	0.0028	0.0013	0.0356
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0192	0.0068
Echinococcus granulosus	neutral alpha glucosidase AB	0.0037	0.0049	0.0067
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0118	0.0371	1
Leishmania major	beta tubulin	0.0028	0.0014	0.0709
Toxoplasma gondii	beta tubulin	0.0028	0.0014	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0371	0.6579
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0049	0.0997
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0049	0.0997
Plasmodium falciparum	plasmepsin V	0.0028	0.0013	0.0356
Mycobacterium ulcerans	lipase LipD	0.0073	0.0192	0.0068
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0108	0.0177
Entamoeba histolytica	hypothetical protein	0.0037	0.0049	0.98
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0118	0.0371	0.6579
Leishmania major	beta tubulin	0.0028	0.0014	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0192	0.3401
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0118	0.0371	0.0672
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.0401	0.0729
Mycobacterium ulcerans	beta-lactamase	0.0073	0.0192	0.0068
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0167	0.0564	1
Mycobacterium ulcerans	3-dehydroquinate dehydratase	0.2542	1	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0037	0.0049	0.0997
Entamoeba histolytica	hypothetical protein	0.0037	0.0049	0.98
Schistosoma mansoni	tubulin subunit beta	0.0028	0.0014	0.0001
Leishmania major	beta tubulin	0.0028	0.0014	0.0709
Trichomonas vaginalis	penicillin-binding protein, putative	0.0073	0.0192	0.4986
Loa Loa (eye worm)	BEN-1 protein	0.0028	0.0014	0.0241
Schistosoma mansoni	alpha glucosidase	0.0037	0.0049	0.0068
Plasmodium vivax	plasmepsin IV, putative	0.0118	0.0371	1
Brugia malayi	beta-lactamase family protein	0.0073	0.0192	0.3401
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0037	0.0049	0.0873
Loa Loa (eye worm)	beta-tubulin	0.0028	0.0014	0.0241
Trypanosoma cruzi	hypothetical protein, conserved	0.0073	0.0192	1
Loa Loa (eye worm)	tubulin beta-4 chain	0.0028	0.0014	0.0241
Plasmodium vivax	aspartyl proteinase, putative	0.0028	0.0013	0.0356
Schistosoma mansoni	tubulin subunit beta	0.0028	0.0014	0.0001
Plasmodium falciparum	plasmepsin IX	0.0028	0.0013	0.0356
Trypanosoma cruzi	beta tubulin, putative	0.0028	0.0014	0.0709
Plasmodium vivax	aspartyl protease, putative	0.0028	0.0013	0.0356
Schistosoma mansoni	tubulin subunit beta	0.0028	0.0014	0.0001
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.0401	0.0729
Schistosoma mansoni	cathepsin D (A01 family)	0.0348	0.1284	0.239
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0056	0.0125	0.2207
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0073	0.0192	0.0068
Brugia malayi	aspartic protease BmAsp-2, identical	0.0028	0.0013	0.0234

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)		Inhibition of bovine cathepsin D at 10 uM	ChEMBL.	17824679
IC50 (binding)	= 2 nM	Inhibition of human recombinant renin at pH 7.2 after 1 hr by radioimmunoassay method	ChEMBL.	17824679
IC50 (binding)	= 10 nM	Inhibition of human plasma renin after 1 hr by radioimmunoassay method	ChEMBL.	17824679
IC50 (binding)	= 12 nM	Inhibition of marmoset plasma renin after 1 hr by radioimmunoassay method	ChEMBL.	17824679

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: CHEMBL536982

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1030253