TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 661.852 | Formula: C33H51N5O7S
H donors: 5 H acceptors: 7 LogP: 4.42 Rotable bonds: 21
Rule of 5 violations (Lipinski): 2
SMILES: CCS(=O)(=O)CC[C@@H]([C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)CC1CCCCC1)O
InChi: 1S/C33H51N5O7S/c1-5-46(43,44)17-16-29(39)26(18-23-12-8-6-9-13-23)36-31(41)28(20-25-21-34-22-35-25)37-30(40)27(19-24-14-10-7-11-15-24)38-32(42)45-33(2,3)4/h7,10-11,14-15,21-23,26-29,39H,5-6,8-9,12-13,16-20H2,1-4H3,(H,34,35)(H,36,41)(H,37,40)(H,38,42)/t26-,27-,28-,29-/m0/s1
InChiKey: FAQKQMALCLBRHM-DZUOILHNSA-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
Rattus norvegicus	Renin	Starlite/ChEMBL	References
Bos taurus	Cathepsin D	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium vivax	aspartyl proteinase, putative	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
Schistosoma mansoni	cathepsin D (A01 family)	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
Neospora caninum	Renin, related	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 yoelii	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin IV	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
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 knowlesi	plasmepsin IV, 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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium berghei	plasmepsin VI	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin VI	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
Candida albicans	vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C)	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
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	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	ko:K01379 cathepsin D [EC3.4.23.5], putative	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
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	plasmepsin	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
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	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
Plasmodium falciparum	plasmepsin I	Get druggable targets OG5_126885	All targets in OG5_126885
Cryptosporidium hominis	aspartyl protease precursor	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
Theileria parva	cathepsin E, putative	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
Plasmodium berghei	plasmepsin IV	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 III	Renin	402 aa	345 aa	29.9 %
Babesia bovis	aspartyl protease, putative	Renin	402 aa	350 aa	28.3 %
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	Cathepsin D	390 aa	388 aa	33.5 %
Dictyostelium discoideum	hypothetical protein	Cathepsin D	390 aa	374 aa	24.9 %
Babesia bovis	aspartyl protease, putative	Renin	402 aa	333 aa	25.8 %
Plasmodium yoelii	pepsinogen A-related	Cathepsin D	390 aa	387 aa	25.8 %
Plasmodium knowlesi	aspartyl protease, putative	Renin	402 aa	369 aa	27.1 %
Candida albicans	secretory aspartyl proteinase SAP4p	Renin	402 aa	341 aa	24.3 %
Plasmodium falciparum	plasmepsin VII	Renin	402 aa	367 aa	24.3 %
Candida albicans	secretory aspartyl proteinase SAP3p	Cathepsin D	390 aa	370 aa	25.9 %
Plasmodium berghei	plasmepsin VII	Renin	402 aa	360 aa	27.2 %
Plasmodium knowlesi	plasmepsin V, putative	Cathepsin D	390 aa	436 aa	21.8 %
Candida albicans	secretory aspartyl proteinase SAP8p	Renin	402 aa	333 aa	23.7 %
Plasmodium vivax	aspartyl protease, putative	Renin	402 aa	455 aa	25.1 %
Onchocerca volvulus	Putative 6-pyruvoyl tetrahydrobiopterin synthase	Cathepsin D	390 aa	395 aa	30.9 %
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	Cathepsin D	390 aa	383 aa	25.1 %
Toxoplasma gondii	aspartyl protease ASP3	Renin	402 aa	324 aa	29.9 %
Onchocerca volvulus	Sphingomyelin phosphodiesterase 1 homolog	Renin	402 aa	414 aa	40.3 %
Candida albicans	secretory aspartyl proteinase SAP10p, related to SAP9p	Renin	402 aa	344 aa	21.8 %
Candida albicans	secretory aspartyl proteinase SAP7p	Cathepsin D	390 aa	385 aa	24.4 %
Brugia malayi	aspartic protease BmAsp-1, identical	Cathepsin D	390 aa	406 aa	29.6 %
Schistosoma japonicum	Lysosomal aspartic protease precursor, putative	Cathepsin D	390 aa	335 aa	32.5 %
Candida albicans	secretory aspartyl proteinase SAP6p	Renin	402 aa	341 aa	24.9 %
Drosophila melanogaster	CG31926 gene product from transcript CG31926-RB	Renin	402 aa	415 aa	33.5 %
Plasmodium falciparum	plasmepsin X	renin	406 aa	352 aa	26.4 %
Candida albicans	secretory aspartyl proteinase SAP2p	Cathepsin D	390 aa	378 aa	27.5 %
Candida albicans	secretory aspartyl proteinase SAP9p, related to SAP10	Cathepsin D	390 aa	315 aa	25.1 %
Plasmodium falciparum	plasmepsin X	Renin	402 aa	332 aa	29.8 %
Candida albicans	secretory aspartyl proteinase SAP3p	Cathepsin D	390 aa	370 aa	25.9 %
Plasmodium yoelii	Eukaryotic aspartyl protease, putative	Renin	402 aa	329 aa	29.5 %
Onchocerca volvulus		Cathepsin D	390 aa	329 aa	22.5 %
Candida albicans	secretory aspartyl proteinase SAP6p	Renin	402 aa	341 aa	24.6 %
Candida albicans	secretory aspartyl proteinase SAP1p	Cathepsin D	390 aa	386 aa	29.0 %
Plasmodium berghei	plasmepsin IX, putative	Cathepsin D	390 aa	403 aa	25.8 %
Candida albicans	secretory aspartyl proteinase SAP5p	Renin	402 aa	354 aa	24.6 %
Candida albicans	secretory aspartyl proteinase SAP1p	Cathepsin D	390 aa	386 aa	29.0 %
Candida albicans	secretory aspartyl proteinase SAP4p	Renin	402 aa	341 aa	24.3 %
Neospora caninum	Cathepsin D enzyme (EC 3.4.23.5), related	Renin	402 aa	358 aa	30.4 %
Candida albicans	secretory aspartyl proteinase SAP5p	Renin	402 aa	354 aa	24.6 %
Candida albicans	secretory aspartyl proteinase SAP8p	Renin	402 aa	333 aa	23.7 %
Candida albicans	secretory aspartyl proteinase SAP7p	Cathepsin D	390 aa	385 aa	24.4 %
Loa Loa (eye worm)	aspartic protease BmAsp-1	Renin	402 aa	408 aa	26.5 %
Neospora caninum	hypothetical protein	Renin	402 aa	324 aa	29.6 %
Candida albicans	secretory aspartyl proteinase SAP2p	Cathepsin D	390 aa	378 aa	27.5 %
Plasmodium falciparum	plasmepsin IX	Renin	402 aa	438 aa	25.3 %
Plasmodium knowlesi	eukaryotic aspartyl protease, putative	Renin	402 aa	328 aa	28.7 %
Cryptosporidium parvum	secreted pepsinogen like aspartyl protease having a signal peptide	Cathepsin D	390 aa	387 aa	24.0 %
Schistosoma mansoni	memapsin-2 (A01 family)	Renin	402 aa	440 aa	21.1 %
Candida albicans	secretory aspartyl proteinase SAP9p, related to SAP10	Cathepsin D	390 aa	315 aa	25.1 %
Plasmodium vivax	aspartyl protease, putative	Renin	402 aa	385 aa	27.8 %
Plasmodium berghei	plasmepsin X	Renin	402 aa	329 aa	29.8 %
Onchocerca volvulus		Renin	402 aa	340 aa	30.6 %
Toxoplasma gondii	aspartyl protease	Renin	402 aa	417 aa	28.5 %
Candida albicans	secretory aspartyl proteinase SAP10p, related to SAP9p	Renin	402 aa	344 aa	21.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0032	0.0053
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0081	0.0139	0.0116
Loa Loa (eye worm)	von Willebrand factor type A domain-containing protein	0.0072	0.0116	0.0349
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0042	0.0038	0.0013
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0208	0.047	0.1021
Toxoplasma gondii	RNA-directed DNA polymerase	0.0085	0.0149	0.3429
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.1169	0.2975	0.2958
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0085	0.0149	0.3429
Loa Loa (eye worm)	hypothetical protein	0.004	0.0032	0.0031
Plasmodium falciparum	telomerase reverse transcriptase	0.0085	0.0149	0.3429
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.004	0.0032	0.0008
Brugia malayi	aspartic protease BmAsp-1, identical	0.0042	0.0038	0.007
Brugia malayi	Zona pellucida-like domain containing protein	0.0072	0.0116	0.0473
Brugia malayi	aspartic protease BmAsp-2, identical	0.0042	0.0038	0.007
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0032	0.0053
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0621	0.1548	1
Plasmodium falciparum	plasmepsin V	0.0042	0.0038	0.0369
Loa Loa (eye worm)	von Willebrand factor domain-containing protein	0.0072	0.0116	0.0349
Plasmodium vivax	plasmepsin IV, putative	0.0177	0.039	1
Onchocerca volvulus		0.0141	0.0296	0.3688
Echinococcus granulosus	small conductance calcium activated potassium	0.0152	0.0325	0.0301
Schistosoma mansoni	serine/threonine protein kinase	0.0141	0.0297	0.0616
Entamoeba histolytica	hypothetical protein, conserved	0.0072	0.0116	0.055
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0177	0.039	0.1396
Loa Loa (eye worm)	hypothetical protein	0.0778	0.1956	0.7375
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0402	0.0978	0.0956
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0189	0.0422	0.2613
Loa Loa (eye worm)	CUTiclin family member	0.0072	0.0116	0.0349
Schistosoma mansoni	cathepsin D (A01 family)	0.0522	0.1289	0.2929
Giardia lamblia	Telomerase catalytic subunit	0.0085	0.0149	0.173
Echinococcus granulosus	voltage dependent calcium channel subunit	0.1757	0.4509	0.4496
Echinococcus granulosus	rho-associated protein kinase 1	0.0141	0.0297	0.0273
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0081	0.0139	0.0597
Onchocerca volvulus		0.0141	0.0297	0.37
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.03	0.071	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0042	0.0038	0.0013
Brugia malayi	ImpB/MucB/SamB family protein	0.004	0.0032	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0116	0.0349
Brugia malayi	Pepsin A precursor	0.0042	0.0038	0.007
Onchocerca volvulus		0.0072	0.0116	0.1114
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0081	0.0139	0.0757
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0116	0.0349
Onchocerca volvulus		0.0072	0.0116	0.1114
Treponema pallidum	76K protein	0.0072	0.0116	0.5
Plasmodium falciparum	von Willebrand factor A domain-related protein	0.0072	0.0116	0.2501
Brugia malayi	hypothetical protein	0.0042	0.0038	0.007
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0081	0.0139	0.3156
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0042	0.0038	0.0013
Trypanosoma brucei	telomerase reverse transcriptase	0.0085	0.0149	0.3178
Schistosoma mansoni	memapsin-2 (A01 family)	0.0042	0.0038	0.0013
Schistosoma mansoni	hypothetical protein	0.0072	0.0116	0.0194
Plasmodium falciparum	plasmepsin IV	0.0177	0.039	1
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0177	0.039	0.0367
Plasmodium vivax	aspartyl proteinase, putative	0.0177	0.039	1
Plasmodium vivax	aspartyl protease, putative	0.0042	0.0038	0.0369
Plasmodium falciparum	thrombospondin-related anonymous protein	0.0072	0.0116	0.2501
Onchocerca volvulus		0.0072	0.0116	0.1114
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0042	0.0038	0.0013
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0621	0.1548	1
Brugia malayi	hypothetical protein	0.0042	0.0038	0.007
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0127	0.0393
Mycobacterium ulcerans	DNA polymerase IV	0.004	0.0032	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0032	0.0684
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0208	0.047	1
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0081	0.0139	0.0708
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0621	0.1548	1
Echinococcus multilocularis	collagen alpha 1(VII) chain	0.0072	0.0116	0.0092
Trypanosoma brucei	unspecified product	0.004	0.0032	0.0684
Echinococcus granulosus	dna polymerase eta	0.004	0.0032	0.0008
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.031	0.0738	1
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0037	0.0024	0.0512
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0208	0.047	0.2928
Plasmodium falciparum	plasmepsin II	0.0177	0.039	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0116	0.0349
Brugia malayi	Cache domain containing protein	0.0778	0.1956	1
Echinococcus multilocularis	dna polymerase eta	0.004	0.0032	0.0008
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.1757	0.4509	0.4496
Loa Loa (eye worm)	hypothetical protein	0.0402	0.0978	0.3639
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0427	0.1041	0.6654
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0081	0.0139	0.0116
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0032	0.0053
Brugia malayi	Zona pellucida-like domain containing protein	0.0072	0.0116	0.0473
Brugia malayi	hypothetical protein	0.0072	0.0116	0.0473
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0032	0.0684
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0042	0.0038	0.0013
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0081	0.0139	0.0116
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0032	0.0053
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.1169	0.2975	0.6859
Leishmania major	telomerase reverse transcriptase, putative	0.0085	0.0149	1
Plasmodium falciparum	plasmepsin VIII, putative	0.0042	0.0038	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0116	0.0349
Toxoplasma gondii	aspartyl protease	0.0042	0.0038	0.0369
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0081	0.0139	0.9204
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0081	0.0139	0.0708
Plasmodium vivax	aspartyl proteinase, putative	0.0042	0.0038	0.0369
Echinococcus multilocularis	dna polymerase kappa	0.004	0.0032	0.0008
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0072	0.0116	0.055
Brugia malayi	von Willebrand factor type A domain containing protein	0.0072	0.0116	0.0473
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0177	0.039	0.0367
Brugia malayi	von Willebrand factor type A domain containing protein	0.0072	0.0116	0.0473
Brugia malayi	von Willebrand factor type A domain containing protein	0.0072	0.0116	0.0473
Brugia malayi	von Willebrand factor type A domain containing protein	0.0072	0.0116	0.0473
Brugia malayi	Protein kinase domain containing protein	0.0439	0.1072	0.5422
Plasmodium falciparum	circumsporozoite- and TRAP-related protein	0.0072	0.0116	0.2501
Entamoeba histolytica	hypothetical protein, conserved	0.0072	0.0116	0.055
Plasmodium vivax	thrombospondin-related anonymous protein	0.0072	0.0116	0.2501
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0081	0.0139	0.2966
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0116	0.0349
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0081	0.0139	0.025
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.085	0.2143	0.4921
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0402	0.0978	0.0956
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0208	0.047	0.289
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0177	0.039	1
Plasmodium vivax	von Willebrand factor A domain-related protein, putative	0.0072	0.0116	0.2501
Loa Loa (eye worm)	hypothetical protein	0.0177	0.039	0.1396
Mycobacterium tuberculosis	Conserved hypothetical protein	0.004	0.0032	0.5
Plasmodium falciparum	plasmepsin VI	0.0177	0.039	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0081	0.0139	0.0757
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0402	0.0978	0.4934
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0116	0.0349
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0081	0.0139	0.0441
Schistosoma mansoni	cathepsin D (A01 family)	0.0522	0.1289	0.2929
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0116	0.0349
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0177	0.039	0.2359
Brugia malayi	von Willebrand factor type A domain containing protein	0.0072	0.0116	0.0473
Leishmania major	DNA polymerase eta, putative	0.004	0.0032	0.0647
Brugia malayi	ImpB/MucB/SamB family protein	0.004	0.0032	0.0042
Loa Loa (eye worm)	CUTiclin-Like family member	0.0072	0.0116	0.0349
Onchocerca volvulus		0.0072	0.0116	0.1114
Toxoplasma gondii	von Willebrand factor type A domain-containing protein	0.0072	0.0116	0.2501
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0042	0.0038	0.007
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0208	0.047	0.289
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.3864	1	1
Toxoplasma gondii	microneme protein MIC2	0.0072	0.0116	0.2501
Trypanosoma brucei	DNA polymerase eta, putative	0.004	0.0032	0.0684
Onchocerca volvulus		0.0072	0.0116	0.1114
Echinococcus multilocularis	rho associated protein kinase	0.0141	0.0297	0.0273
Entamoeba histolytica	elongation factor-2 kinase, putative	0.0072	0.0116	0.055
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0116	0.0349
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0042	0.0038	0.0013
Plasmodium vivax	aspartyl protease, putative	0.0042	0.0038	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0116	0.0349
Schistosoma mansoni	hypothetical protein	0.0908	0.2294	0.5273
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0208	0.047	0.289
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.1169	0.2975	0.2958
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0032	0.0684
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0032	0.0684
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.1685	0.4322	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.004	0.0032	0.0031
Loa Loa (eye worm)	aspartyl protease 6	0.0042	0.0038	0.0052
Loa Loa (eye worm)	phosphatidylinositol 3	0.1042	0.2644	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0116	0.0349
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0208	0.047	0.289
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0081	0.0139	0.0708
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.004	0.0032	0.0008
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.0439	0.1072	0.3999
Brugia malayi	Telomerase reverse transcriptase	0.0226	0.0517	0.2549
Onchocerca volvulus		0.0072	0.0116	0.1114
Plasmodium falciparum	plasmepsin I	0.0177	0.039	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0116	0.0349
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.004	0.0032	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0621	0.1548	0.7888
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0081	0.0139	0.0708
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0325	0.1147
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0032	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0116	0.0349
Leishmania major	DNA polymerase kappa, putative	0.004	0.0032	0.0647
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0042	0.0038	0.0369
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0081	0.0139	0.0708
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0547	0.1355	0.6888
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0032	0.0684
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0494	0.1217	0.7818
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0081	0.0139	0.3156
Plasmodium falciparum	plasmepsin VII	0.0042	0.0038	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0116	0.0349
Toxoplasma gondii	aspartyl protease ASP3	0.0042	0.0038	0.0369
Schistosoma mansoni	calcium-activated potassium channel	0.0145	0.0305	0.0637
Echinococcus granulosus	collagen alpha 1VII chain	0.0072	0.0116	0.0092
Echinococcus multilocularis	small conductance calcium activated potassium	0.0152	0.0325	0.0301
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0208	0.047	0.289
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.0482	0.1186	0.1164
Entamoeba histolytica	hypothetical protein	0.0494	0.1217	0.7818
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0145	0.0307	0.4057
Schistosoma mansoni	calcium-activated potassium channel	0.0152	0.0325	0.0682
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.004	0.0032	0.0647
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.0032	0.0684
Brugia malayi	von Willebrand factor type A domain containing protein	0.0072	0.0116	0.0473
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0081	0.0139	0.3156
Entamoeba histolytica	hypothetical protein	0.0072	0.0116	0.055
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0603	0.15	0.9684
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0042	0.0038	0.0052
Plasmodium vivax	hypothetical protein, conserved	0.0072	0.0116	0.2501
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0177	0.039	0.0834
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0032	0.0684
Plasmodium vivax	aspartyl protease, putative	0.0042	0.0038	0.0369
Schistosoma mansoni	hypothetical protein	0.0072	0.0116	0.0194
Trypanosoma cruzi	DNA polymerase eta, putative	0.004	0.0032	0.0053
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0085	0.0149	0.0823
Plasmodium falciparum	plasmepsin III	0.0042	0.0038	0.0369
Echinococcus granulosus	dna polymerase kappa	0.004	0.0032	0.0008
Treponema pallidum	hypothetical protein	0.0072	0.0116	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0038	0.0052
Brugia malayi	von Willebrand Factor	0.0072	0.0116	0.0473
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0621	0.1548	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0032	0.0684
Schistosoma mansoni	hypothetical protein	0.0152	0.0325	0.0682
Onchocerca volvulus		0.0072	0.0116	0.1114
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0042	0.0038	0.0013
Mycobacterium ulcerans	DNA polymerase IV	0.004	0.0032	0.5
Plasmodium falciparum	plasmepsin X	0.0042	0.0038	0.0369
Plasmodium vivax	plasmepsin V, putative	0.0042	0.0038	0.0369
Plasmodium vivax	circumsporozoite- and TRAP-related protein, putative	0.0072	0.0116	0.2501
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0499	0.1813
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.0032	0.0684
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.0032	0.0684
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0032	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0038	0.0052
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0276	0.0647	0.4054
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0081	0.0139	0.9204
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0072	0.0116	0.0473
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0621	0.1548	1
Echinococcus multilocularis	Zinc finger, PHD finger	0.0081	0.0139	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0116	0.0349
Brugia malayi	von Willebrand factor type A domain containing protein	0.0072	0.0116	0.0473
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0032	0.0684
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0081	0.0139	0.3156
Plasmodium falciparum	plasmepsin IX	0.0042	0.0038	0.0369
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0042	0.0038	0.0013
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0208	0.047	0.2309
Plasmodium vivax	dynein-related AAA-type ATPase, putative	0.0072	0.0116	0.2501
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0427	0.1041	0.6654
Loa Loa (eye worm)	phosphatidylinositol 3	0.0189	0.0422	0.152
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0081	0.0139	0.025
Brugia malayi	von Willebrand factor type A domain containing protein	0.0072	0.0116	0.0473
Toxoplasma gondii	aspartyl protease ASP1	0.0177	0.039	1
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0085	0.0149	0.0823
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0621	0.1548	1
Schistosoma mansoni	serine-rich repeat protein	0.0908	0.2294	0.5273
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0085	0.0151	0.0655
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0107	0.0316

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.0076 uM	Inhibition against purified human renin	ChEMBL.	3309313
IC50 (binding)	= 0.0076 uM	Inhibition against purified human renin	ChEMBL.	3309313
IC50 (binding)	= 0.028 uM	Inhibition against human plasma renin	ChEMBL.	3309313
IC50 (binding)	= 0.028 uM	Inhibition against human plasma renin	ChEMBL.	3309313
IC50 (binding)	> 10 uM	Inhibition against rat plasma renin	ChEMBL.	3309313
IC50 (binding)	> 10 uM	Inhibition against cathepsin D	ChEMBL.	3309313
IC50 (binding)	> 10 uM	Inhibition against rat plasma renin	ChEMBL.	3309313
IC50 (binding)	> 10 uM	Inhibition against cathepsin D	ChEMBL.	3309313
Inhibition (binding)	= 0 %	Percentage inhibition against rat plasma renin	ChEMBL.	3309313
Inhibition (binding)	= 0 %	Percentage inhibition against cathepsin D at 1.0x10E-5M	ChEMBL.	3309313
Inhibition (binding)	= 0 %	Percentage inhibition against rat plasma renin	ChEMBL.	3309313
Inhibition (binding)	= 0 %	Percentage inhibition against cathepsin D at 1.0x10E-5M	ChEMBL.	3309313

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: CHEMBL300724

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 70931