TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 487.718 | Formula: C29H49N3O3
H donors: 3 H acceptors: 2 LogP: 4.99 Rotable bonds: 15
Rule of 5 violations (Lipinski): 1
SMILES: CNC[C@@H](NC(=O)N1CCC[C@H](C1)[C@](c1ccccc1)(CCCCOCC)O)CC1CCCCC1
InChi: 1S/C29H49N3O3/c1-3-35-20-11-10-18-29(34,25-15-8-5-9-16-25)26-17-12-19-32(23-26)28(33)31-27(22-30-2)21-24-13-6-4-7-14-24/h5,8-9,15-16,24,26-27,30,34H,3-4,6-7,10-14,17-23H2,1-2H3,(H,31,33)/t26-,27+,29-/m1/s1
InChiKey: YADHFRAMIXASPF-IUAQSZDVSA-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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	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 knowlesi	plasmepsin IV, putative	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
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	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 berghei	plasmepsin IV	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 berghei	plasmepsin VI	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	plasmepsin	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
Candida albicans	vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C)	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 vivax	aspartyl proteinase, putative	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
Plasmodium falciparum	plasmepsin VI	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
Babesia bovis	eukaryotic aspartyl protease family 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
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	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
Plasmodium knowlesi	aspartyl protease, 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
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 proteinase (eimepsin), 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
Toxoplasma gondii	aspartyl protease ASP1	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 falciparum	plasmepsin IV	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 vivax	plasmepsin IV, 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

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0099	0.0907	0.1573
Echinococcus granulosus	chromobox protein 1	0.0072	0.0604	0.1047
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0098	0.0895	0.0895
Schistosoma mansoni	hypothetical protein	0.0021	0.0019	0.0051
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0223	0.2316	1
Brugia malayi	Dihydrofolate reductase	0.0091	0.0817	0.0817
Mycobacterium tuberculosis	Probable esterase LipL	0.0074	0.0625	0.0883
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.02	0.0347
Trichomonas vaginalis	conserved hypothetical protein	0.0106	0.0989	1
Brugia malayi	Bromodomain containing protein	0.0075	0.0633	0.0633
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0373	0.0373
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.0335	0.2553
Brugia malayi	PHD-finger family protein	0.0025	0.0067	0.0067
Mycobacterium tuberculosis	Conserved protein	0.0074	0.0625	0.0883
Loa Loa (eye worm)	jmjC domain-containing protein	0.0038	0.0222	0.0222
Schistosoma mansoni	zinc finger protein	0.0019	0.0007	0.0019
Brugia malayi	beta-lactamase	0.0074	0.0625	0.0625
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0139	0.1368	0.1368
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0625	0.0625
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.004	0.007
Schistosoma mansoni	hypothetical protein	0.0344	0.3691	1
Echinococcus granulosus	chromobox protein 1	0.0072	0.0604	0.1047
Leishmania major	C-8 sterol isomerase-like protein	0.0365	0.3936	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0279	0.1205
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0098	0.0895	0.211
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0313	0.3348	0.8474
Mycobacterium ulcerans	thymidylate synthase	0.0223	0.2316	1
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0059	0.0456	0.1147
Schistosoma mansoni	serine/threonine protein kinase	0.0098	0.0895	0.2425
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0333	0.0333
Trypanosoma cruzi	polo-like protein kinase, putative	0.0098	0.0895	0.211
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.016	0.016
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.1368	0.3706
Plasmodium falciparum	plasmepsin II	0.0059	0.0456	0.1147
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0074	0.0625	0.0883
Echinococcus granulosus	caspase 2	0.0031	0.0139	0.0241
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0149	0.1478	0.1478
Plasmodium vivax	hypothetical protein, conserved	0.003	0.0128	0.0142
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.1368	0.2373
Plasmodium falciparum	plasmepsin I	0.0059	0.0456	0.1147
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0098	0.0895	0.1552
Plasmodium vivax	aspartyl proteinase, putative	0.0059	0.0456	0.1147
Brugia malayi	Cell death protein 3 precursor	0.0031	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0187	0.1907	0.1907
Schistosoma mansoni	hypothetical protein	0.0344	0.3691	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0139	0.0139
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0472	0.5146	1
Echinococcus granulosus	dihydrofolate reductase	0.0091	0.0817	0.1417
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0039	0.0234	0.5
Brugia malayi	thymidylate synthase	0.0223	0.2316	0.2316
Trichomonas vaginalis	esterase, putative	0.0074	0.0625	0.5852
Mycobacterium tuberculosis	Hypothetical protein	0.0106	0.0989	0.1618
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0082	0.0082
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0128	0.0142
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0234	0.0395
Leishmania major	hypothetical protein, conserved	0.0074	0.0625	0.1409
Echinococcus granulosus	neuropeptide s receptor	0.0526	0.5766	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0072	0.0604	0.0604
Echinococcus granulosus	apoptotic protease activating factor 1	0.0031	0.0139	0.0241
Echinococcus granulosus	zinc finger protein	0.0019	0.0007	0.0012
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.0128	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0149	0.1478	0.1478
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0074	0.0625	0.1083
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0091	0.0817	0.1271
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0234	0.0395
Mycobacterium ulcerans	lipase LipD	0.0074	0.0625	0.1877
Echinococcus multilocularis	inhibitor of apoptosis protein	0.0149	0.1478	0.2563
Brugia malayi	PHD-finger family protein	0.003	0.0128	0.0128
Echinococcus multilocularis	caspase 2	0.0031	0.0139	0.0241
Schistosoma mansoni	hypothetical protein	0.0031	0.0139	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0625	0.0625
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0192	0.0333
Mycobacterium tuberculosis	Conserved protein	0.0074	0.0625	0.0883
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0139	0.1368	0.1368
Echinococcus multilocularis	geminin	0.0344	0.3691	0.6402
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.0895	0.8927
Plasmodium vivax	plasmepsin IV, putative	0.0059	0.0456	0.1147
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0074	0.0625	0.0625
Brugia malayi	MH2 domain containing protein	0.0122	0.1175	0.1175
Schistosoma mansoni	cathepsin D (A01 family)	0.0174	0.1763	0.4776
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0145	0.0145
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.0353	0.0955
Brugia malayi	chromobox protein homolog 3	0.004	0.0244	0.0244
Mycobacterium tuberculosis	Conserved protein	0.0074	0.0625	0.0883
Loa Loa (eye worm)	hypothetical protein	0.005	0.0353	0.0353
Echinococcus multilocularis	tumor protein p63	0.0341	0.3659	0.6346
Trypanosoma cruzi	polo-like protein kinase, putative	0.0098	0.0895	0.211
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.0895	0.8927
Echinococcus multilocularis	zinc finger protein	0.0019	0.0007	0.0012
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0098	0.0895	1
Schistosoma mansoni	inhibitor of apoptosis protein	0.0149	0.1478	0.4003
Brugia malayi	jmjC domain containing protein	0.0099	0.0907	0.0907
Trypanosoma brucei	polo-like protein kinase	0.0098	0.0895	0.211
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0091	0.0817	0.2961
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0223	0.2316	0.6274
Loa Loa (eye worm)	hypothetical protein	0.003	0.0128	0.0128
Echinococcus granulosus	peregrin	0.0032	0.0155	0.0268
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0219	0.0219
Plasmodium falciparum	plasmepsin IV	0.0059	0.0456	0.1147
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.1368	0.2373
Echinococcus granulosus	thymidylate synthase	0.0223	0.2316	0.4016
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.0335	0.2553
Schistosoma mansoni	inhibitor of apoptosis (iap) domain family member	0.0149	0.1478	0.4003
Echinococcus multilocularis	chromobox protein 1	0.0072	0.0604	0.1047
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.0625	0.5852
Trichomonas vaginalis	inositol monophosphatase, putative	0.0039	0.0234	0.1406
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.0895	0.8927
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.0625	0.1692
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0246	0.0246
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.1175	0.1175
Plasmodium falciparum	phd finger protein, putative	0.003	0.0128	0.0142
Schistosoma mansoni	kinase	0.005	0.0349	0.0947
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0456	0.0456
Onchocerca volvulus		0.0031	0.0139	0.06
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0313	0.3348	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0625	0.0625
Loa Loa (eye worm)	hypothetical protein	0.0899	1	1
Schistosoma mansoni	hypothetical protein	0.003	0.0128	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0139	0.0139
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.0625	0.5852
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.1368	0.2373
Loa Loa (eye worm)	hypothetical protein	0.0033	0.016	0.016
Echinococcus granulosus	beta LACTamase domain containing family member	0.0074	0.0625	0.1083
Echinococcus multilocularis	jumonji domain containing protein	0.0042	0.0262	0.0455
Schistosoma mansoni	hypothetical protein	0.0033	0.016	0.0433
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.0895	0.8927
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0059	0.0456	0.0791
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0149	0.1478	0.1478
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0313	0.3348	1
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0039	0.0234	0.0466
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.0625	0.1409
Loa Loa (eye worm)	hypothetical protein	0.004	0.0244	0.0244
Brugia malayi	hypothetical protein	0.0031	0.0139	0.0139
Mycobacterium tuberculosis	Probable hydrolase	0.0074	0.0625	0.0883
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0074	0.0625	0.0883
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0074	0.0625	0.1877
Echinococcus granulosus	inhibitor of apoptosis protein	0.0149	0.1478	0.2563
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.0895	0.8927
Brugia malayi	beta-lactamase family protein	0.0074	0.0625	0.0625
Onchocerca volvulus	Deterin homolog	0.0149	0.1478	0.6381
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.1368	0.3706
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0313	0.3348	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.0625	0.1409
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0244	0.1524
Echinococcus granulosus	PHD finger protein rhinoceros	0.003	0.0128	0.0222
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.004	0.007
Onchocerca volvulus		0.0032	0.0145	0.0627
Brugia malayi	Heterochromatin protein 1	0.0072	0.0604	0.0604
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0279	0.192
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0333	0.0333
Loa Loa (eye worm)	hypothetical protein	0.007	0.0585	0.0585
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0098	0.0895	0.1552
Echinococcus multilocularis	neuropeptide s receptor	0.0526	0.5766	1
Mycobacterium ulcerans	beta-lactamase	0.0074	0.0625	0.1877
Loa Loa (eye worm)	hypothetical protein	0.0149	0.1478	0.1478
Brugia malayi	hypothetical protein	0.0106	0.0989	0.0989
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0074	0.0625	0.0625
Echinococcus multilocularis	chromobox protein 1	0.0072	0.0604	0.1047
Loa Loa (eye worm)	hypothetical protein	0.0365	0.3936	0.3936
Echinococcus granulosus	jumonji domain containing protein	0.0042	0.0262	0.0455
Schistosoma mansoni	cathepsin D (A01 family)	0.0174	0.1763	0.4776
Mycobacterium tuberculosis	Probable lipase LipD	0.0074	0.0625	0.0883
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0099	0.0907	0.1573
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0059	0.0461	0.0799
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.004	0.0244	0.1055
Onchocerca volvulus		0.0149	0.1478	0.6381
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.0895	0.8927
Trypanosoma brucei	hypothetical protein, conserved	0.0074	0.0625	0.1409
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0313	0.3348	0.8474
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0625	0.0625
Onchocerca volvulus		0.0074	0.0625	0.2697
Brugia malayi	hypothetical protein	0.0026	0.0082	0.0082
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0059	0.0456	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0625	0.0625
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0268	0.0268
Mycobacterium leprae	Probable lipase LipE	0.0074	0.0625	0.2056
Echinococcus granulosus	baculoviral IAP repeat containing protein	0.0149	0.1478	0.2563
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.1368	0.3706
Onchocerca volvulus		0.0223	0.2316	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.0625	0.1692
Plasmodium falciparum	plasmepsin VI	0.0059	0.0456	0.1147
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0098	0.0895	0.3865
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0128	0.0142
Loa Loa (eye worm)	thymidylate synthase	0.0223	0.2316	0.2316
Echinococcus multilocularis	PHD finger protein rhinoceros	0.003	0.0128	0.0222
Echinococcus granulosus	lysine specific demethylase 5A	0.0038	0.0222	0.0384
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0222	0.06
Brugia malayi	serine/threonine-protein kinase plk-2	0.0098	0.0895	0.0895
Onchocerca volvulus		0.0074	0.0625	0.2697
Toxoplasma gondii	ABC1 family protein	0.0074	0.0625	0.1663
Loa Loa (eye worm)	beta-lactamase	0.0074	0.0625	0.0625
Brugia malayi	Bromodomain containing protein	0.0038	0.0219	0.0219
Brugia malayi	jmjC domain containing protein	0.0038	0.0222	0.0222
Schistosoma mansoni	dihydrofolate reductase	0.0091	0.0817	0.2214
Schistosoma mansoni	hypothetical protein	0.0149	0.1478	0.4003
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0031	0.0139	0.0241
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0059	0.0461	0.0799
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0333	0.0333
Loa Loa (eye worm)	inositol-1	0.0039	0.0234	0.0234
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0059	0.0456	0.1236
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.0625	0.5852
Toxoplasma gondii	aspartyl protease ASP1	0.0059	0.0456	0.1147
Echinococcus granulosus	neuropeptide receptor A26	0.0526	0.5766	1
Echinococcus multilocularis	baculoviral IAP repeat containing protein	0.0149	0.1478	0.2563
Brugia malayi	Bromodomain containing protein	0.0032	0.0155	0.0155
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.0895	0.8927
Echinococcus multilocularis	peregrin	0.0032	0.0155	0.0268
Schistosoma mansoni	caspase-7 (C14 family)	0.0031	0.0139	0.0377
Onchocerca volvulus		0.005	0.0353	0.1523
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0019	0.0019
Schistosoma mansoni	chromobox protein	0.0072	0.0604	0.1636
Onchocerca volvulus	Alhambra homolog	0.003	0.0128	0.0553
Echinococcus multilocularis	inositol monophosphatase 1	0.0039	0.0234	0.0406
Echinococcus multilocularis	thymidylate synthase	0.0223	0.2316	0.4016
Chlamydia trachomatis	dihydrofolate reductase	0.0091	0.0817	0.5
Schistosoma mansoni	chromobox protein	0.0072	0.0604	0.1636
Onchocerca volvulus	Cell death protein 3 homolog	0.0031	0.0139	0.06
Trichomonas vaginalis	chromobox protein, putative	0.0072	0.0604	0.5615
Loa Loa (eye worm)	jmjC domain-containing protein	0.0062	0.0493	0.0493
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.1175	0.1175
Mycobacterium tuberculosis	Probable lipase LipE	0.0074	0.0625	0.0883
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0625	0.0625
Schistosoma mansoni	bromodomain containing protein	0.0063	0.0501	0.1357
Mycobacterium leprae	conserved hypothetical protein	0.0074	0.0625	0.2056
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0279	0.192
Onchocerca volvulus		0.0074	0.0625	0.2697
Echinococcus granulosus	tumor protein p63	0.0341	0.3659	0.6346
Giardia lamblia	Kinase, PLK	0.0098	0.0895	1
Brugia malayi	Inositol-1	0.0039	0.0234	0.0234
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0333	0.0333
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0222	0.06
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0234	0.0634
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.003	0.0128	0.0347
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0365	0.3936	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0234	0.1406
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0234	0.0634
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0234	0.0395
Trichomonas vaginalis	chromobox protein, putative	0.0072	0.0604	0.5615
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0223	0.2316	0.4293
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0365	0.3936	0.3936
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0234	0.1406
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0059	0.0456	0.0791
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0313	0.3348	0.8474
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.0625	0.5852
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0091	0.0817	0.2802
Brugia malayi	sulfakinin receptor protein	0.0899	1	1
Schistosoma mansoni	jumonji domain containing protein	0.0078	0.0677	0.1833
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0234	0.0395
Mycobacterium ulcerans	esterase/lipase LipP	0.0074	0.0625	0.1877
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0192	0.0333
Echinococcus granulosus	inositol monophosphatase 1	0.0039	0.0234	0.0406
Brugia malayi	beta-lactamase family protein	0.0074	0.0625	0.0625
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0059	0.0456	0.3935
Loa Loa (eye worm)	dihydrofolate reductase	0.0091	0.0817	0.0817
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0074	0.0625	0.0883
Echinococcus multilocularis	neuropeptide receptor A26	0.0526	0.5766	1
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0244	0.1524
Brugia malayi	dihydrofolate reductase family protein	0.0091	0.0817	0.0817
Mycobacterium ulcerans	hypothetical protein	0.0074	0.0625	0.1877
Plasmodium vivax	hypothetical protein, conserved	0.0074	0.0625	0.1663
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0106	0.0989	0.2355
Echinococcus multilocularis	dihydrofolate reductase	0.0091	0.0817	0.1417
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.004	0.011
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0365	0.3936	1
Echinococcus granulosus	geminin	0.0344	0.3691	0.6402
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.0625	0.5852
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.1368	0.2373

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 16 nM	Inhibition of human recombinant renin	ChEMBL.	19457666
IC50 (binding)	= 162 nM	Inhibition of human recombinant renin in presence of human plasma by competitive radioimmunoassay	ChEMBL.	19457666

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: CHEMBL496615

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 997822