TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 697.822 | Formula: C35H51N7O8
H donors: 5 H acceptors: 6 LogP: 2.65 Rotable bonds: 19
Rule of 5 violations (Lipinski): 2
SMILES: COc1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@H]([C@@H]1CN(C(=O)O1)CC)O)CC1CCCCC1)Cc1nc[nH]c1)NC(=O)N1CCOCC1
InChi: 1S/C35H51N7O8/c1-3-41-21-30(50-35(41)47)31(43)27(17-23-7-5-4-6-8-23)38-33(45)29(19-25-20-36-22-37-25)39-32(44)28(18-24-9-11-26(48-2)12-10-24)40-34(46)42-13-15-49-16-14-42/h9-12,20,22-23,27-31,43H,3-8,13-19,21H2,1-2H3,(H,36,37)(H,38,45)(H,39,44)(H,40,46)/t27-,28-,29-,30-,31+/m0/s1
InChiKey: IYYVLVVSDIAVNT-STVCLKQXSA-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
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
Plasmodium berghei	plasmepsin IV	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 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 japonicum	Cathepsin D precursor, 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
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
Plasmodium falciparum	plasmepsin VI	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
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
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 falciparum	plasmepsin II	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
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
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
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	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

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
Wolbachia endosymbiont of Brugia malayi	geranylgeranyl pyrophosphate synthase	0.1685	0.2666	0.5
Loa Loa (eye worm)	hexokinase	0.0063	0.0043	0.0043
Plasmodium falciparum	V-type H(+)-translocating pyrophosphatase, putative	0.0953	0.1482	0.1451
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0046	0.0046
Trichomonas vaginalis	geranylgeranyl pyrophosphate synthase, putative	0.6219	1	1
Schistosoma mansoni	geranylgeranyl pyrophosphate synthase	0.2159	0.3432	0.3432
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0044	0.0012	0.0012
Brugia malayi	geranylgeranyl pyrophosphate synthetase	0.2159	0.3432	0.3432
Trypanosoma cruzi	squalene synthase, putative	0.2879	0.4597	0.4597
Schistosoma mansoni	farnesyl pyrophosphate synthase	0.6219	1	1
Loa Loa (eye worm)	hexokinase	0.0128	0.0149	0.0149
Trypanosoma cruzi	hexokinase, putative	0.0205	0.0272	0.0272
Brugia malayi	hypothetical protein	0.0148	0.0181	0.0181
Schistosoma mansoni	alpha-glucosidase	0.0141	0.017	0.017
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0044	0.0012	0.0012
Echinococcus granulosus	decaprenyl diphosphate synthase subunit 1	0.1685	0.2666	0.2666
Mycobacterium tuberculosis	Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase)	0.6219	1	1
Plasmodium falciparum	octaprenyl pyrophosphate synthase	0.1685	0.2666	0.2639
Schistosoma mansoni	glutathione synthetase	0.1685	0.2666	0.2666
Trypanosoma brucei	hexokinase	0.0205	0.0272	0.0272
Schistosoma mansoni	hypothetical protein	0.0948	0.1475	0.1475
Schistosoma mansoni	cathepsin D (A01 family)	0.0174	0.0222	0.0222
Entamoeba histolytica	hexokinase 1	0.0205	0.0272	0.1021
Trypanosoma cruzi	polyprenyl synthase, putative	0.2159	0.3432	0.3432
Loa Loa (eye worm)	hexokinase type II	0.0205	0.0272	0.0272
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0042	0.0042
Brugia malayi	RNA binding protein	0.0062	0.0042	0.0042
Leishmania major	squalene synthase, putative	0.2879	0.4597	0.4597
Onchocerca volvulus		0.0205	0.0272	0.1286
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0044	0.0012	0.0012
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0044	0.0012	0.0012
Plasmodium falciparum	geranylgeranyl pyrophosphate synthase, putative	0.6219	1	1
Trypanosoma cruzi	farnesyl pyrophosphate synthase	0.6219	1	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0044	0.0012	0.0012
Trypanosoma cruzi	phytoene synthase, putative	0.0948	0.1475	0.1475
Toxoplasma gondii	V-type H(+)-translocating pyrophosphatase VP1	0.0953	0.1482	0.1482
Entamoeba histolytica	aminopeptidase, putative	0.0044	0.0012	0.0043
Mycobacterium ulcerans	polyprenyl diphosphate synthetase, GrcC1	0.1685	0.2666	0.2657
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0042	0.0042
Trypanosoma brucei	squalene synthase, putative	0.2879	0.4597	0.4597
Loa Loa (eye worm)	hypothetical protein	0.014	0.0167	0.0167
Toxoplasma gondii	aspartyl protease ASP1	0.0059	0.0036	0.0036
Toxoplasma gondii	polyprenyl synthetase superfamily protein	0.6219	1	1
Trypanosoma cruzi	solanesyl-diphosphate synthase, putative	0.1685	0.2666	0.2666
Giardia lamblia	Farnesyl diphosphate synthase	0.6219	1	0.5
Echinococcus multilocularis	hexokinase type 2	0.0205	0.0272	0.0272
Leishmania major	vacuolar-type proton translocating pyrophosphatase 1, putative	0.0953	0.1482	0.1482
Trypanosoma cruzi	hexokinase, putative	0.0205	0.0272	0.0272
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0044	0.0012	0.0012
Trypanosoma cruzi	solanesyl-diphosphate synthase	0.1685	0.2666	0.2666
Brugia malayi	TAR-binding protein	0.0062	0.0042	0.0042
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0059	0.0036	0.0036
Echinococcus multilocularis	farnesyl pyrophosphate synthase	0.6219	1	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0164	0.0207	0.0207
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0044	0.0012	0.0012
Mycobacterium leprae	PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE)	0.1685	0.2666	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0042	0.0042
Plasmodium falciparum	V-type K+-independent H+-translocating inorganic pyrophosphatase	0.0953	0.1482	0.1451
Echinococcus multilocularis	hexokinase	0.0205	0.0272	0.0272
Mycobacterium tuberculosis	Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase)	0.1685	0.2666	0.0917
Trichomonas vaginalis	geranylgeranyl pyrophosphate synthase, putative	0.6219	1	1
Mycobacterium ulcerans	phytoene synthase, CrtB	0.1227	0.1925	0.1916
Echinococcus granulosus	prenyl decaprenyl diphosphate synthase	0.1685	0.2666	0.2666
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0059	0.0036	0.0036
Brugia malayi	Peptidase family M1 containing protein	0.0044	0.0012	0.0012
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0044	0.0012	0.0012
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0042	0.0042
Plasmodium vivax	octaprenyl pyrophosphate synthase, putative	0.1685	0.2666	0.2639
Trypanosoma brucei	hexokinase	0.0205	0.0272	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0148	0.0181	0.0181
Leishmania major	solanesyl-diphosphate synthase, putative	0.1685	0.2666	0.2666
Echinococcus granulosus	hexokinase	0.0205	0.0272	0.0272
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0044	0.0012	0.0012
Trypanosoma brucei	farnesyl pyrophosphate synthase	0.6219	1	1
Entamoeba histolytica	geranylgeranyl pyrophosphate synthase, putative	0.1685	0.2666	1
Leishmania major	farnesyl pyrophosphate synthase	0.6219	1	1
Mycobacterium ulcerans	polyprenyl synthetase IdsB	0.1685	0.2666	0.2657
Plasmodium vivax	V-type H(+)-translocating pyrophosphatase, putative	0.0953	0.1482	0.1451
Echinococcus multilocularis	geranylgeranyl pyrophosphate synthase	0.2159	0.3432	0.3432
Echinococcus granulosus	geranylgeranyl pyrophosphate synthase	0.2159	0.3432	0.3432
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0044	0.0012	0.0012
Onchocerca volvulus		0.0128	0.0149	0.0392
Echinococcus granulosus	hexokinase	0.0205	0.0272	0.0272
Toxoplasma gondii	hexokinase	0.0205	0.0272	0.0272
Onchocerca volvulus		0.0205	0.0272	0.1286
Mycobacterium tuberculosis	Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate	0.1685	0.2666	0.0917
Trypanosoma cruzi	farnesyl pyrophosphate synthase, putative	0.6219	1	1
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0044	0.0012	0.0012
Mycobacterium ulcerans	geranylgeranyl pyrophosphate synthase	0.6219	1	1
Entamoeba histolytica	bifunctional short chain isoprenyl diphosphate synthase, putative	0.1685	0.2666	1
Trypanosoma brucei	Pyrophosphate-energized vacuolar membrane proton pump 2, putative	0.0953	0.1482	0.1482
Trypanosoma cruzi	vacuolar-type proton translocating pyrophosphatase 1	0.0953	0.1482	0.1482
Echinococcus multilocularis	hexokinase	0.0205	0.0272	0.0272
Trypanosoma brucei	Pyrophosphate-energized vacuolar membrane proton pump 1	0.0953	0.1482	0.1482
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0042	0.0042
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0044	0.0012	0.0012
Echinococcus multilocularis	Squalene phytoene synthase	0.0948	0.1475	0.1475
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0036	0.0036
Echinococcus multilocularis	prenyl (decaprenyl) diphosphate synthase	0.1685	0.2666	0.2666
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0059	0.0036	0.0036
Brugia malayi	Hexokinase family protein	0.0063	0.0043	0.0043
Loa Loa (eye worm)	aminopeptidase N	0.0044	0.0012	0.0012
Plasmodium vivax	geranylgeranyl pyrophosphate synthase	0.6219	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0042	0.0042
Schistosoma mansoni	hexokinase	0.0205	0.0272	0.0272
Trypanosoma cruzi	squalene synthase, putative	0.2879	0.4597	0.4597
Loa Loa (eye worm)	polyprenyl synthetase	0.1685	0.2666	0.2666
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0059	0.0036	0.0036
Plasmodium vivax	hexokinase, putative	0.0205	0.0272	0.0237
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0059	0.0036	0.0036
Trypanosoma brucei	solanesyl-diphosphate synthase, putative	0.1685	0.2666	0.2666
Echinococcus granulosus	hexokinase	0.0205	0.0272	0.0272
Brugia malayi	Hexokinase family protein	0.0128	0.0149	0.0149
Mycobacterium tuberculosis	Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase)	0.1685	0.2666	0.0917
Echinococcus multilocularis	decaprenyl diphosphate synthase subunit 1	0.1685	0.2666	0.2666
Loa Loa (eye worm)	hexokinase	0.0205	0.0272	0.0272
Wolbachia endosymbiont of Brugia malayi	geranylgeranyl pyrophosphate synthase	0.1685	0.2666	0.5
Echinococcus multilocularis	hexokinase	0.0205	0.0272	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0948	0.1475	0.1475
Leishmania major	hexokinase, putative	0.0205	0.0272	0.0272
Trypanosoma cruzi	Vacuolar proton pyrophosphatase 1, putative	0.0953	0.1482	0.1482
Onchocerca volvulus	Hexokinase homolog	0.0128	0.0149	0.0392
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0042	0.0042
Entamoeba histolytica	hexokinase 2	0.0205	0.0272	0.1021
Echinococcus granulosus	hexokinase type 2	0.0205	0.0272	0.0272
Trypanosoma cruzi	solanesyl-diphosphate synthase, putative	0.1685	0.2666	0.2666
Echinococcus granulosus	lysosomal alpha glucosidase	0.0164	0.0207	0.0207
Brugia malayi	Hexokinase family protein	0.0205	0.0272	0.0272
Plasmodium vivax	vacuolar-type H+ pumping pyrophosphatase, putative	0.0953	0.1482	0.1451
Mycobacterium ulcerans	geranylgeranyl pyrophosphate synthase	0.6219	1	1
Leishmania major	hypothetical protein, conserved	0.0948	0.1475	0.1475
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0044	0.0012	0.0012
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0042	0.0042
Schistosoma mansoni	trans-prenyltransferase	0.1685	0.2666	0.2666
Loa Loa (eye worm)	geranylgeranyl pyrophosphate synthetase	0.2159	0.3432	0.3432
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0164	0.0207	0.0207
Chlamydia trachomatis	geranylgeranyl pyrophosphate synthase	0.1685	0.2666	0.5
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0044	0.0012	0.0012
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0042	0.0042
Entamoeba histolytica	geranylgeranyl pyrophosphate synthetase, putative	0.1685	0.2666	1
Echinococcus granulosus	Squalene phytoene synthase	0.0948	0.1475	0.1475
Leishmania major	polyprenyl synthase, putative	0.2159	0.3432	0.3432
Loa Loa (eye worm)	polyprenyl synthetase	0.6219	1	1
Trichomonas vaginalis	geranylgeranyl diphosphate synthase, putative	0.6219	1	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0164	0.0207	0.0207
Plasmodium falciparum	hexokinase	0.0205	0.0272	0.0237
Trypanosoma brucei	hexokinase, putative	0.0205	0.0272	0.0272
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0044	0.0012	0.0012
Schistosoma mansoni	alpha-glucosidase	0.0141	0.017	0.017
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0164	0.0207	0.0207
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0042	0.0042
Toxoplasma gondii	polyprenyl synthetase superfamily protein	0.1685	0.2666	0.2666
Leishmania major	hexokinase, putative	0.0205	0.0272	0.0272
Brugia malayi	Polyprenyl synthetase family protein	0.1685	0.2666	0.2666
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0046	0.0046
Schistosoma mansoni	cathepsin D (A01 family)	0.0174	0.0222	0.0222
Onchocerca volvulus		0.0148	0.0181	0.0625
Trypanosoma cruzi	aminopeptidase, putative	0.0044	0.0012	0.0012
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0044	0.0012	0.0012
Loa Loa (eye worm)	hexokinase	0.0205	0.0272	0.0272
Treponema pallidum	octaprenyl-diphosphate synthase	0.2159	0.3432	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0059	0.0036	0.0036
Brugia malayi	hexokinase type II	0.0065	0.0046	0.0046
Brugia malayi	hexokinase	0.0205	0.0272	0.0272
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0042	0.0042
Trypanosoma cruzi	polyprenyl synthase, putative	0.2159	0.3432	0.3432
Onchocerca volvulus		0.0205	0.0272	0.1286
Echinococcus granulosus	farnesyl pyrophosphate synthase	0.6219	1	1
Onchocerca volvulus	NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog	0.0948	0.1475	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 3.4 nM	Inhibitory activity against purified human renal renin at pH 6.5	ChEMBL.	2194033
IC50 (functional)	= 3.4 nM	Inhibitory activity against purified human renal renin at pH 6.5	ChEMBL.	2194033
IC50 (functional)	= 9.6 nM	Inhibitory activity against human plasma renin at pH 7.4	ChEMBL.	2194033
IC50 (functional)	= 9.6 nM	Inhibitory activity against human plasma renin at pH 7.4	ChEMBL.	2194033
logD	= 1.91	Log P value at the pH of 6.5	ChEMBL.	2194033
logD	= 2.11	Log P value at the pH of 7.4	ChEMBL.	2194033
S	= 5.9 mM	Solubility at 37 degree C and pH of 7.4	ChEMBL.	2194033

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: CHEMBL61777

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 90027