TDR Targets

Basic information

Technical information

TDR Targets ID: 85265
Name: 2-ethoxy-3-[[4-[2-(5-oxo-2H-1,2,4-oxadiazol-3 -yl)phenyl]phenyl]methyl]benzimidazole-4-carb oxylic acid
MW: 456.45 | Formula: C25H20N4O5
H donors: 2 H acceptors: 6 LogP: 4.72 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1noc(n1)O)c(ccc2)C(=O)O
InChi: 1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)
InChiKey: KGSXMPPBFPAXLY-UHFFFAOYSA-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

2-ethoxy-3-[[4-[2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-4-benzimidazolecarboxylic acid
2-ethoxy-3-[4-[2-(5-keto-2H-1,2,4-oxadiazol-3-yl)phenyl]benzyl]benzimidazole-4-carboxylic acid
2-ethoxy-1-((2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-biphenyl-4-yl)methyl)-1H-benzimidazole-7-carboxylic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Bos taurus	Angiotensin II type 1a (AT-1a) receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Angiotensin II type 1a (AT-1a) receptor	359 aa	324 aa	24.1 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	314 aa	26.4 %
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	362 aa	24.3 %
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	Angiotensin II type 1a (AT-1a) receptor	359 aa	315 aa	21.0 %
Schistosoma mansoni	opsin-like receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	299 aa	25.8 %
Onchocerca volvulus		Angiotensin II type 1a (AT-1a) receptor	359 aa	303 aa	25.4 %
Echinococcus granulosus	tm gpcr rhodopsin	Angiotensin II type 1a (AT-1a) receptor	359 aa	315 aa	21.0 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Angiotensin II type 1a (AT-1a) receptor	359 aa	346 aa	24.9 %
Schistosoma japonicum	Rhodopsin, putative	Angiotensin II type 1a (AT-1a) receptor	359 aa	355 aa	23.9 %
Onchocerca volvulus		Angiotensin II type 1a (AT-1a) receptor	359 aa	350 aa	23.1 %
Loa Loa (eye worm)	neuropeptide F receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	360 aa	22.2 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	329 aa	22.8 %
Echinococcus multilocularis	neuropeptide receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	319 aa	24.5 %
Schistosoma mansoni	adenoreceptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	338 aa	23.4 %
Echinococcus multilocularis	G-protein coupled receptor, putative	Angiotensin II type 1a (AT-1a) receptor	359 aa	308 aa	22.7 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Angiotensin II type 1a (AT-1a) receptor	359 aa	325 aa	21.8 %
Onchocerca volvulus		Angiotensin II type 1a (AT-1a) receptor	359 aa	349 aa	25.5 %
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	403 aa	18.9 %
Echinococcus multilocularis	allatostatin A receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	350 aa	26.6 %
Loa Loa (eye worm)	hypothetical protein	Angiotensin II type 1a (AT-1a) receptor	359 aa	329 aa	22.2 %
Brugia malayi	ORL1-like opioid receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	314 aa	20.4 %
Onchocerca volvulus		Angiotensin II type 1a (AT-1a) receptor	359 aa	399 aa	25.1 %
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	381 aa	19.7 %
Brugia malayi	GnHR receptor homolog	Angiotensin II type 1a (AT-1a) receptor	359 aa	366 aa	20.8 %
Echinococcus granulosus	allatostatin A receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	350 aa	26.6 %
Loa Loa (eye worm)	hypothetical protein	Angiotensin II type 1a (AT-1a) receptor	359 aa	300 aa	28.0 %
Onchocerca volvulus		Angiotensin II type 1a (AT-1a) receptor	359 aa	292 aa	25.7 %
Echinococcus granulosus	neuropeptide receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	319 aa	24.1 %
Onchocerca volvulus		Angiotensin II type 1a (AT-1a) receptor	359 aa	313 aa	24.6 %
Onchocerca volvulus	E3 ubiquitin-protein ligase rpm-1 homolog	Angiotensin II type 1a (AT-1a) receptor	359 aa	339 aa	21.2 %
Onchocerca volvulus		Angiotensin II type 1a (AT-1a) receptor	359 aa	317 aa	20.5 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	329 aa	23.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0031	0.0597	0.2583
Leishmania major	lysyl-tRNA synthetase, putative	0.0023	0.0414	0.5783
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0217	0.0956
Mycobacterium ulcerans	glycyl-tRNA synthetase	0.0006	0.0016	0.0377
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0217	0.0956
Trichomonas vaginalis	conserved hypothetical protein	0.0103	0.2266	1
Trichomonas vaginalis	CAMK family protein kinase	0.0032	0.0611	0.2699
Echinococcus multilocularis	General substrate transporter	0.0089	0.193	0.851
Echinococcus granulosus	solute carrier family 22	0.0015	0.0217	0.0894
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0217	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0036	0.0715	0.1081
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0439	1	1
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0217	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0103	0.2266	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trichomonas vaginalis	myo-inositol transporter, putative	0.0015	0.0217	0.0956
Mycobacterium ulcerans	integral membrane transport protein	0.0015	0.0217	0.5239
Brugia malayi	Sugar transporter family protein	0.0103	0.2266	1
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0621	0.868
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0032	0.0612	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0621	0.274
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Onchocerca volvulus		0.0015	0.0217	0.5
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0621	0.868
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0894
Schistosoma mansoni	sugar transporter	0.0015	0.0217	0.0894
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0167	0.3734	0.3724
Onchocerca volvulus		0.0015	0.0217	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0894
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0015	0.0217	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Schistosoma mansoni	sugar transporter	0.0015	0.0217	0.0894
Plasmodium vivax	proline--tRNA ligase, putative	0.0036	0.0715	0.0701
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0015	0.0217	0.303
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0715	1
Plasmodium vivax	sugar transporter, putative	0.0015	0.0217	0.0201
Brugia malayi	major facilitator superfamily protein	0.0015	0.0217	0.0894
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0032	0.0621	0.868
Onchocerca volvulus		0.0015	0.0217	0.5
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0015	0.0217	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0621	0.868
Trichomonas vaginalis	sugar transport protein, putative	0.0015	0.0217	0.0956
Trichomonas vaginalis	threonyl-tRNA synthetase, putative	0.0006	0.0016	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0463	0.1987
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0032	0.0612	0.0597
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0032	0.0612	0.0925
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0217	0.0894
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0032	0.0612	0.0925
Onchocerca volvulus		0.0015	0.0217	0.5
Trypanosoma cruzi	glucose transporter, putative	0.0015	0.0217	0.303
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0217	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0414	0.1769
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0621	0.868
Chlamydia trachomatis	lysine--tRNA ligase	0.0023	0.0414	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0621	0.868
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Echinococcus granulosus	solute carrier family 22	0.0015	0.0217	0.0894
Echinococcus granulosus	lysyl tRNA synthetase	0.0023	0.0414	0.1769
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0015	0.0217	0.6499
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0611	0.2648
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0015	0.0217	1
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0032	0.0612	0.0597
Onchocerca volvulus		0.0015	0.0217	0.5
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0611	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0894
Onchocerca volvulus		0.0015	0.0217	0.5
Echinococcus granulosus	General substrate transporter	0.0089	0.193	0.851
Mycobacterium ulcerans	sugar transporter	0.0015	0.0217	0.5239
Schistosoma mansoni	hypothetical protein	0.0103	0.2266	1
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0621	0.868
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0167	0.3734	0.3724
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0715	1
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0621	0.868
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0217	0.0894
Toxoplasma gondii	glycyl-tRNA synthetase	0.0006	0.0016	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0894
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0103	0.2266	1
Giardia lamblia	Hexose transporter	0.0015	0.0217	0.346
Brugia malayi	hypothetical protein	0.0015	0.0217	0.0894
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0414	0.1826
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0894
Plasmodium falciparum	lysine--tRNA ligase	0.0023	0.0414	0.0399
Giardia lamblia	Sugar-proton symporter	0.0015	0.0217	0.346
Leishmania major	threonyl-tRNA synthetase, putative	0.0006	0.0016	0.0218
Onchocerca volvulus		0.0015	0.0217	0.5
Brugia malayi	Cam kinase protein 1	0.0032	0.0611	0.2648
Plasmodium falciparum	protein kinase 7	0.0292	0.6617	0.6612
Leishmania major	protein kinase, putative	0.0032	0.0611	0.855
Schistosoma mansoni	protein kinase	0.0032	0.0611	0.2648
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0894
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0015	0.0217	0.0201
Mycobacterium tuberculosis	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase)	0.0006	0.0016	0.0468
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0015	0.0217	0.0894
Leishmania major	glucose transporter, lmgt2	0.0032	0.0621	0.868
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0103	0.2266	1
Mycobacterium leprae	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase) (ThrRS) (Threonine-tRNA ligase)	0.0006	0.0016	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0894
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0167	0.3734	0.5643
Brugia malayi	major facilitator superfamily protein	0.0015	0.0217	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0621	0.868
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0621	0.274
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0611	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Entamoeba histolytica	protein kinase, putative	0.0032	0.0611	1
Onchocerca volvulus		0.0015	0.0217	0.5
Leishmania major	glucose transporter, lmgt3	0.0032	0.0621	0.868
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0011	0.0134	0.3243
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0715	1
Toxoplasma gondii	sugar transporter ST2	0.0015	0.0217	0.0327
Onchocerca volvulus		0.0015	0.0217	0.5
Onchocerca volvulus		0.0015	0.0217	0.5
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0032	0.0612	0.0597
Schistosoma mansoni	serine/threonine protein kinase	0.0032	0.0611	0.2648
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0621	0.274
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.002	0.0348	0.1536
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0414	1
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0414	1
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0023	0.0414	0.5783
Mycobacterium ulcerans	threonyl-tRNA synthetase	0.0006	0.0016	0.0377
Toxoplasma gondii	lysine-tRNA ligase	0.0023	0.0414	0.0625
Chlamydia trachomatis	proline--tRNA ligase	0.0011	0.0134	0.2978
Schistosoma mansoni	glucose transporter	0.0015	0.0217	0.0894
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0032	0.0611	0.2648
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trypanosoma cruzi	hexose transporter, putative	0.0015	0.0217	0.303
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0015	0.0217	0.6499
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0032	0.0612	0.0597
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0414	0.1769
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trypanosoma brucei	glycyl-tRNA synthetase, putative	0.0006	0.0016	0.0218
Entamoeba histolytica	hypothetical protein	0.0023	0.0414	0.6679
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0611	0.2648
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0621	0.868
Echinococcus granulosus	solute carrier family 22	0.0015	0.0217	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Onchocerca volvulus		0.0015	0.0217	0.5
Onchocerca volvulus		0.0015	0.0217	0.5
Trypanosoma cruzi	hexose transporter	0.0032	0.0621	0.868
Brugia malayi	Sugar transporter family protein	0.0015	0.0217	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.0018	0.0286	0.3994
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0032	0.0611	0.2648
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0103	0.2266	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0611	0.2648
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0217	0.0894
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0621	0.868
Echinococcus multilocularis	lysyl tRNA synthetase	0.0023	0.0414	0.1769
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0621	0.274
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0894
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0006	0.0016	0.0218
Brugia malayi	hypothetical protein	0.0015	0.0217	0.0894
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0333	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Loa Loa (eye worm)	sugar transporter	0.0015	0.0217	0.0894
Trypanosoma brucei	threonyl-tRNA synthetase, putative	0.0006	0.0016	0.0218
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Schistosoma mansoni	protein kinase	0.0032	0.0611	0.2648
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0217	0.0956
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0414	0.1769
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.002	0.0333	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Brugia malayi	Sugar transporter family protein	0.0015	0.0217	0.0894
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0031	0.0597	1
Brugia malayi	lysyl-tRNA synthetase	0.0023	0.0414	0.1769
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0894
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0597	0.2583
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0031	0.0597	0.2634
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0031	0.0597	0.9752
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0015	0.0217	0.0894
Trypanosoma cruzi	sugar transporter, putative	0.0015	0.0217	0.303
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0217	0.0894
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0217	0.0894
Brugia malayi	hypothetical protein	0.0015	0.0217	0.0894
Onchocerca volvulus	Putative transporter	0.0015	0.0217	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0032	0.0612	0.0597
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0032	0.0611	0.855
Plasmodium vivax	hexose transporter	0.0103	0.2266	0.2253
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0621	0.274
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0894
Leishmania major	myo-inositol/proton symporter (MIT)	0.0015	0.0217	0.303
Onchocerca volvulus		0.0015	0.0217	0.5
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0032	0.0611	0.2648
Schistosoma mansoni	sugar transporter	0.0015	0.0217	0.0894
Echinococcus granulosus	synaptic vesicle 2 protein	0.0015	0.0217	0.0894
Giardia lamblia	Prolyl-tRNA synthetase	0.0031	0.0597	1
Treponema pallidum	prolyl-tRNA synthetase	0.0011	0.0134	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Schistosoma mansoni	glucose transport protein	0.0103	0.2266	1
Toxoplasma gondii	facilitative glucose transporter GT1	0.0103	0.2266	0.3424
Trypanosoma brucei	glucose transporter 1E	0.0032	0.0621	0.868
Schistosoma mansoni	protein kinase	0.0032	0.0611	0.2648
Toxoplasma gondii	transporter, major facilitator family protein	0.0015	0.0217	0.0327
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0032	0.0612	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Echinococcus granulosus	solute carrier family 22	0.0015	0.0217	0.0894
Leishmania major	hypothetical protein, conserved	0.0015	0.0217	0.303
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0611	0.2648
Toxoplasma gondii	protein kinase, putative	0.0292	0.6617	1
Schistosoma mansoni	glucose transport protein	0.0103	0.2266	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0032	0.0612	0.0925
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0621	0.274
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0611	0.2648
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0103	0.2266	1
Echinococcus multilocularis	calcium dependent protein kinase	0.003	0.0566	0.2448
Onchocerca volvulus		0.0015	0.0217	0.5
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0013	0.0175	0.0709
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0715	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0006	0.0016	0.0218
Schistosoma mansoni	sugar transporter	0.0015	0.0217	0.0894
Loa Loa (eye worm)	sugar transporter	0.0103	0.2266	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0894
Onchocerca volvulus		0.0015	0.0217	0.5
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0621	0.868
Trichomonas vaginalis	glucose transporter, putative	0.0015	0.0217	0.0956
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0333	0.5587
Entamoeba histolytica	protein kinase, putative	0.0032	0.0611	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0597	0.2583
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0621	0.868
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0103	0.2266	1
Trypanosoma brucei	glucose transporter 2A	0.0032	0.0621	0.868
Leishmania major	glucose transporter, lmgt1	0.0032	0.0621	0.868
Trypanosoma brucei	sugar transporter, putative	0.0015	0.0217	0.303
Toxoplasma gondii	sugar transporter ST3	0.0015	0.0217	0.0327
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0217	0.0894
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0023	0.0414	0.5783
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0217	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0611	0.2648
Schistosoma mansoni	glucose transport protein	0.0103	0.2266	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0597	0.2583
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0217	0.0956
Plasmodium falciparum	hexose transporter	0.0103	0.2266	0.2253
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0103	0.2266	1
Giardia lamblia	Lysyl-tRNA synthetase	0.0023	0.0414	0.6849
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0032	0.0612	0.0597
Onchocerca volvulus		0.0015	0.0217	0.5
Echinococcus granulosus	calcium dependent protein kinase	0.003	0.0566	0.2448
Plasmodium vivax	lysine--tRNA ligase, putative	0.0023	0.0414	0.0399
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0015	0.0217	0.5239
Toxoplasma gondii	threonyl-tRNA synthetase family protein	0.0006	0.0016	0.0024
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Plasmodium falciparum	proline--tRNA ligase	0.0036	0.0715	0.0701
Toxoplasma gondii	sugar transporter ST1	0.0015	0.0217	0.0327
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0217	0.0956
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0015	0.0217	0.5239
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0217	0.0956
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0103	0.2266	1
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0621	0.868
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0032	0.0612	0.0597
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0621	0.868
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0031	0.0597	0.2583
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0597	0.2583
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0597	0.2583
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0597	0.2583
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0032	0.0611	0.2648
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0023	0.0414	0.6932
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0715	1
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0621	0.274

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 4.2 nM	Binding affinity to angiotensin AT1 receptor in bovine adrenal cortex membranes	ChEMBL.	21071232
BA (ADMET)	= 20 %	Bioavailability	ChEMBL.	8978851
ED25 (functional)	= 0.4 mg kg-1	Dose-dependent reduction of blood pressure in spontaneously hypertensive rats administratered orally (antihypertensive effect)	ChEMBL.	No reference
F (ADMET)	= 20 %	Percent oral bioavailability examined in rats	ChEMBL.	No reference
IC50 (binding)	= 0.00000042 M	Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angiotensin II (AII) receptor at 10e-7 M	ChEMBL.	No reference
IC50 (binding)	= 0.00000042 M	Inhibition of specific binding of [125I]-Angiotensin II (0.2 nM) to angiotensin II receptor in bovine adrenal cortex	ChEMBL.	8978851
IC50 (binding)	= 0.00000042 M	Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angiotensin II (AII) receptor at 10e-7 M	ChEMBL.	No reference
ID50 (functional)	= 0.06 mg kg-1	Tested for dose-dependent inhibition of Angiotensin II (AII)-induced pressor response at more than 0.01 mg/kg, p.o.	ChEMBL.	No reference
Inhibition (functional)	= 75 %	Percent inhibition of AII (0.1 microg/kg iv) -induced pressor response at 7 hr after administration of test compounds (0.1 mg/kg po) in conscious male Sprague-Dawley rats.	ChEMBL.	8978851
Inhibition (functional)	= 100 %	Inhibitory activity against the pressor response induced by Angiotensin II (AII) in conscious rats, at 1 mg/kg p.o. at 3h	ChEMBL.	No reference
Inhibition (functional)	= 100 %	Inhibitory activity against the pressor response induced by Angiotensin II (AII) in conscious rats, at 1 mg/kg p.o. at 7 hr	ChEMBL.	No reference
Inhibition (functional)	= 100 %	Percent inhibition of angiotensin II (0.1 microg/kg iv) -induced pressor response 3h after administration of test compounds (1 mg/kg po) in conscious male Sprague-Dawley rats	ChEMBL.	8978851
Inhibition (functional)	= 100 %	Percent inhibition of angiotensin II (0.1 microg/kg iv) -induced pressor response 3h after administration of test compounds (1 mg/kg po) in conscious male Sprague-Dawley rats	ChEMBL.	8978851
logP (ADMET)	= 0.9	Partition coefficient (logP)	ChEMBL.	No reference
logP (ADMET)	= 0.9	Partition coefficient (logP)	ChEMBL.	8978851
pD2 (functional)	= 9.93	pD2 value of compound was determined	ChEMBL.	No reference
pKa (ADMET)	= 6.1	pka value of the compound was determined	ChEMBL.	8978851

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: CHEMBL57242
PubChem: 9825285

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 85265