TDR Targets

Basic information

Technical information

TDR Targets ID: 81334
Name: (E)-3-[2-butyl-3-[(4-ethoxycarbonylphenyl)met hyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)pro p-2-enoic acid
MW: 452.566 | Formula: C25H28N2O4S
H donors: 1 H acceptors: 4 LogP: 5.19 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CCCCc1ncc(n1Cc1ccc(cc1)C(=O)OCC)/C=C(/C(=O)O)\Cc1cccs1
InChi: 1S/C25H28N2O4S/c1-3-5-8-23-26-16-21(14-20(24(28)29)15-22-7-6-13-32-22)27(23)17-18-9-11-19(12-10-18)25(30)31-4-2/h6-7,9-14,16H,3-5,8,15,17H2,1-2H3,(H,28,29)/b20-14+
InChiKey: NOIGSKNWPPIMOZ-XSFVSMFZSA-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

(E)-3-[2-butyl-3-[(4-ethoxycarbonylphenyl)methyl]imidazol-4-yl]-2-(2-thienylmethyl)prop-2-enoic acid
(E)-3-[2-butyl-3-[(4-ethoxycarbonylphenyl)methyl]-4-imidazolyl]-2-(2-thienylmethyl)-2-propenoic acid
(E)-3-[2-butyl-3-(4-carbethoxybenzyl)imidazol-4-yl]-2-(2-thenyl)acrylic acid
(E)-3-[2-butyl-3-[(4-ethoxycarbonylphenyl)methyl]-4-imidazolyl]-2-(2-thienylmethyl)prop-2-enoic acid
(E)-3-[2-butyl-3-(4-carbethoxybenzyl)imidazol-4-yl]-2-(2-thienylmethyl)acrylic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Angiotensin II receptor	Starlite/ChEMBL	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
Loa Loa (eye worm)	hypothetical protein	Angiotensin II receptor	359 aa	330 aa	26.7 %
Echinococcus granulosus	allatostatin A receptor	Angiotensin II receptor	359 aa	348 aa	25.9 %
Onchocerca volvulus		Angiotensin II receptor	359 aa	386 aa	24.9 %
Onchocerca volvulus		Angiotensin II receptor	359 aa	303 aa	25.1 %
Echinococcus granulosus	neuropeptide receptor	Angiotensin II receptor	359 aa	316 aa	25.0 %
Onchocerca volvulus		Angiotensin II receptor	359 aa	314 aa	25.8 %
Brugia malayi	GnHR receptor homolog	Angiotensin II receptor	359 aa	364 aa	20.9 %
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	Angiotensin II receptor	359 aa	303 aa	22.4 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Angiotensin II receptor	359 aa	336 aa	22.3 %
Brugia malayi	putative neuropeptide receptor NPR1	Angiotensin II receptor	359 aa	295 aa	27.5 %
Loa Loa (eye worm)	neuropeptide F receptor	Angiotensin II receptor	359 aa	356 aa	24.2 %
Echinococcus granulosus	growth hormone secretagogue receptor type 1	Angiotensin II receptor	359 aa	351 aa	21.9 %
Onchocerca volvulus	E3 ubiquitin-protein ligase rpm-1 homolog	Angiotensin II receptor	359 aa	352 aa	20.5 %
Loa Loa (eye worm)	hypothetical protein	Angiotensin II receptor	359 aa	335 aa	23.3 %
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	Angiotensin II receptor	359 aa	351 aa	21.9 %
Echinococcus multilocularis	allatostatin A receptor	Angiotensin II receptor	359 aa	348 aa	25.9 %
Onchocerca volvulus		Angiotensin II receptor	359 aa	294 aa	23.8 %
Schistosoma mansoni	adenoreceptor	Angiotensin II receptor	359 aa	329 aa	24.0 %
Echinococcus multilocularis	neuropeptide receptor	Angiotensin II receptor	359 aa	316 aa	25.3 %
Brugia malayi	ORL1-like opioid receptor	Angiotensin II receptor	359 aa	314 aa	20.1 %
Schistosoma japonicum	Rhodopsin, putative	Angiotensin II receptor	359 aa	327 aa	24.2 %
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	Angiotensin II receptor	359 aa	407 aa	19.4 %
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	Angiotensin II receptor	359 aa	406 aa	20.0 %
Echinococcus multilocularis	G-protein coupled receptor, putative	Angiotensin II receptor	359 aa	308 aa	22.4 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Angiotensin II receptor	359 aa	334 aa	23.7 %
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	Angiotensin II receptor	359 aa	346 aa	18.2 %
Onchocerca volvulus		Angiotensin II receptor	359 aa	395 aa	23.0 %
Schistosoma mansoni	opsin-like receptor	Angiotensin II receptor	359 aa	299 aa	25.1 %
Onchocerca volvulus		Angiotensin II receptor	359 aa	312 aa	19.2 %
Echinococcus granulosus	tm gpcr rhodopsin	Angiotensin II receptor	359 aa	303 aa	22.4 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Angiotensin II receptor	359 aa	311 aa	23.5 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Angiotensin II receptor	359 aa	314 aa	26.1 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Angiotensin II receptor	359 aa	337 aa	24.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Carboxylesterase family protein	0.0013	0.0127	0.0565
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0017	0.0201	1
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0017	0.0201	0.5052
Toxoplasma gondii	sugar transporter ST1	0.0017	0.0201	0.0305
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0201	0.0894
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0333	0.1477
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0191	0.3724	0.5632
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0036	0.0597	0.2648
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0013	0.0127	0.0565
Schistosoma mansoni	serine/threonine protein kinase	0.0036	0.0597	0.2648
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0606	0.269
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0597	0.2648
Brugia malayi	Carboxylesterase family protein	0.0013	0.0127	0.0565
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0013	0.0127	0.4001
Brugia malayi	Major Facilitator Superfamily protein	0.0017	0.0201	0.0894
Onchocerca volvulus		0.0017	0.0201	1
Schistosoma mansoni	hypothetical protein	0.0118	0.2253	1
Echinococcus multilocularis	acetylcholinesterase	0.0077	0.1414	0.6277
Onchocerca volvulus		0.0017	0.0201	1
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0894
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0502	1	1
Echinococcus granulosus	BC026374 protein S09 family	0.0013	0.0127	0.0565
Echinococcus granulosus	solute carrier family 22	0.0017	0.0201	0.0894
Brugia malayi	Sugar transporter family protein	0.0118	0.2253	1
Brugia malayi	Sugar transporter family protein	0.0017	0.0201	0.0894
Onchocerca volvulus		0.0017	0.0201	1
Trypanosoma cruzi	hexose transporter	0.0037	0.0606	0.8651
Echinococcus granulosus	General substrate transporter	0.0102	0.1918	0.851
Giardia lamblia	Sugar-proton symporter	0.0017	0.0201	0.346
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Onchocerca volvulus		0.0017	0.0201	1
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0118	0.2253	1
Schistosoma mansoni	lysyl-tRNA synthetase	0.0026	0.0399	0.1769
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0036	0.0597	0.8517
Echinococcus multilocularis	solute carrier family 22	0.0017	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0037	0.0606	0.269
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0022	0.0318	0.5469
Echinococcus granulosus	neuroligin	0.0013	0.0127	0.0565
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0894
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0037	0.0606	0.8651
Brugia malayi	Carboxylesterase family protein	0.0013	0.0127	0.0565
Trypanosoma brucei	glucose transporter, putative	0.0037	0.0606	0.8651
Plasmodium vivax	lysine--tRNA ligase, putative	0.0026	0.0399	0.0399
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0035	0.0582	0.2583
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0894
Echinococcus granulosus	solute carrier family 22	0.0017	0.0201	0.0894
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0036	0.0597	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0582	0.2583
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0127	0.0565
Schistosoma mansoni	sugar transporter	0.0017	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Loa Loa (eye worm)	sugar transporter	0.0017	0.0201	0.0894
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0026	0.0399	0.1769
Trypanosoma brucei	glucose transporter, putative	0.0037	0.0606	0.8651
Schistosoma mansoni	protein kinase	0.0036	0.0597	0.2648
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Onchocerca volvulus		0.0017	0.0201	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0127	0.0565
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0035	0.0582	0.2583
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0036	0.0597	0.0597
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0036	0.0597	0.2648
Echinococcus granulosus	carboxylesterase 5A	0.0077	0.1414	0.6277
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0013	0.0127	0.0565
Onchocerca volvulus		0.0017	0.0201	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0036	0.0597	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0894
Schistosoma mansoni	protein kinase	0.0036	0.0597	0.2648
Onchocerca volvulus		0.0017	0.0201	1
Brugia malayi	Major Facilitator Superfamily protein	0.0017	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0077	0.1414	0.6277
Schistosoma mansoni	lysyl-tRNA synthetase	0.0026	0.0399	0.1769
Echinococcus granulosus	acetylcholinesterase	0.0077	0.1414	0.6277
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0022	0.0318	1
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0201	0.0894
Onchocerca volvulus		0.0017	0.0201	1
Plasmodium falciparum	protein kinase 7	0.0334	0.6612	0.6612
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0036	0.0597	0.2648
Chlamydia trachomatis	proline--tRNA ligase	0.0013	0.0119	0.2978
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Trichomonas vaginalis	glucose transporter, putative	0.0037	0.0606	0.269
Entamoeba histolytica	hypothetical protein	0.0026	0.0399	0.6679
Onchocerca volvulus		0.0017	0.0201	1
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0013	0.0119	0.2978
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0448	0.1987
Onchocerca volvulus		0.0017	0.0201	1
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0022	0.0318	1
Plasmodium falciparum	hexose transporter	0.0118	0.2253	0.2253
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0017	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0127	0.0565
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0037	0.0606	0.269
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0191	0.3724	0.3724
Trichomonas vaginalis	spcc417.12 protein, putative	0.0013	0.0127	0.0565
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1414	0.6277
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0036	0.0597	0.0597
Onchocerca volvulus		0.0017	0.0201	1
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.0017	0.0201	0.2874
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0894
Echinococcus multilocularis	General substrate transporter	0.0102	0.1918	0.851
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0118	0.2253	1
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0017	0.0201	0.0201
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0026	0.0399	0.5689
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0035	0.0582	0.2583
Echinococcus multilocularis	acetylcholinesterase	0.0077	0.1414	0.6277
Trypanosoma brucei	glucose transporter, putative	0.0037	0.0606	0.8651
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0013	0.0127	0.0565
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0026	0.0399	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.0077	0.1414	0.6277
Trypanosoma cruzi	glucose transporter, putative	0.0017	0.0201	0.2874
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0597	0.2648
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Loa Loa (eye worm)	carboxylesterase	0.0077	0.1414	0.6277
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0013	0.0127	0.0565
Plasmodium falciparum	lysine--tRNA ligase	0.0026	0.0399	0.0399
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Trichomonas vaginalis	glucose transporter, putative	0.0037	0.0606	0.269
Trypanosoma cruzi	sugar transporter, putative	0.0017	0.0201	0.2874
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0191	0.3724	0.3724
Plasmodium falciparum	proline--tRNA ligase	0.0041	0.0701	0.0701
Entamoeba histolytica	protein kinase, putative	0.0036	0.0597	1
Trypanosoma cruzi	hexose transporter, putative	0.0037	0.0606	0.8651
Brugia malayi	Sugar transporter family protein	0.0017	0.0201	0.0894
Echinococcus multilocularis	neuroligin	0.0013	0.0127	0.0565
Schistosoma mansoni	glucose transport protein	0.0118	0.2253	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0894
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0013	0.0127	0.0565
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0017	0.0201	0.0894
Schistosoma mansoni	sugar transporter	0.0017	0.0201	0.0894
Schistosoma mansoni	protein kinase	0.0036	0.0597	0.2648
Giardia lamblia	Hexose transporter	0.0017	0.0201	0.346
Giardia lamblia	Lysyl-tRNA synthetase	0.0026	0.0399	0.6849
Trichomonas vaginalis	glucose transporter, putative	0.0017	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 22	0.0017	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0037	0.0606	0.8651
Trichomonas vaginalis	sugar transport protein, putative	0.0017	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0894
Echinococcus granulosus	solute carrier family 22	0.0017	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0037	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Mycobacterium ulcerans	carboxylesterase, LipT	0.0013	0.0127	0.3195
Brugia malayi	hypothetical protein	0.0017	0.0201	0.0894
Schistosoma mansoni	gliotactin	0.0013	0.0127	0.0565
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0041	0.0701	1
Schistosoma mansoni	glucose transport protein	0.0118	0.2253	1
Onchocerca volvulus		0.0017	0.0201	1
Trypanosoma brucei	glucose transporter, putative	0.0037	0.0606	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0582	0.2583
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0013	0.0127	0.0565
Trypanosoma brucei	glucose transporter, putative	0.0037	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0894
Onchocerca volvulus		0.0017	0.0201	1
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0017	0.0201	0.0894
Brugia malayi	lysyl-tRNA synthetase	0.0026	0.0399	0.1769
Toxoplasma gondii	sugar transporter ST2	0.0017	0.0201	0.0305
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0036	0.0597	0.2648
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0035	0.0582	0.2583
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0037	0.0606	0.8651
Echinococcus multilocularis	solute carrier family 22	0.0017	0.0201	0.0894
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0037	0.0606	0.8651
Brugia malayi	hypothetical protein	0.0017	0.0201	0.0894
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0035	0.0582	0.2583
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0041	0.0701	1
Onchocerca volvulus		0.0017	0.0201	1
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0017	0.0201	0.5052
Schistosoma mansoni	acetylcholinesterase	0.0013	0.0127	0.0565
Toxoplasma gondii	sugar transporter ST3	0.0017	0.0201	0.0305
Schistosoma mansoni	glucose transporter	0.0017	0.0201	0.0894
Echinococcus multilocularis	carboxylesterase 5A	0.0077	0.1414	0.6277
Brugia malayi	major facilitator superfamily protein	0.0017	0.0201	0.0894
Brugia malayi	hypothetical protein	0.0013	0.0127	0.0565
Chlamydia trachomatis	lysine--tRNA ligase	0.0026	0.0399	1
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Leishmania major	lysyl-tRNA synthetase, putative	0.0026	0.0399	0.5689
Loa Loa (eye worm)	carboxylesterase	0.0013	0.0127	0.0565
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Onchocerca volvulus		0.0017	0.0201	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0036	0.0597	0.0903
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Leishmania major	glucose transporter, lmgt1	0.0037	0.0606	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0017	0.0201	0.0894
Plasmodium vivax	proline--tRNA ligase, putative	0.0041	0.0701	0.0701
Echinococcus granulosus	synaptic vesicle 2 protein	0.0017	0.0201	0.0894
Trypanosoma brucei	sugar transporter, putative	0.0017	0.0201	0.2874
Entamoeba histolytica	protein kinase, putative	0.0036	0.0597	1
Plasmodium vivax	hexose transporter	0.0118	0.2253	0.2253
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0597	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0127	0.0565
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0036	0.0597	0.0597
Loa Loa (eye worm)	carboxylesterase	0.0013	0.0127	0.0565
Onchocerca volvulus	Putative transporter	0.0017	0.0201	1
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.002	0.027	0.386
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Mycobacterium ulcerans	integral membrane transport protein	0.0017	0.0201	0.5052
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0017	0.0201	0.6328
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0036	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0127	0.0565
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0036	0.0597	0.0903
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0035	0.0582	1
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0026	0.0399	0.6849
Brugia malayi	Carboxylesterase family protein	0.0013	0.0127	0.0565
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0399	0.1769
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0013	0.0127	0.0565
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0036	0.0597	0.0903
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0201	0.0894
Echinococcus multilocularis	calcium dependent protein kinase	0.0034	0.0552	0.2448
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0026	0.0399	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0597	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0127	0.0565
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0894
Leishmania major	hypothetical protein, conserved	0.0017	0.0201	0.2874
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0017	0.0201	0.0894
Schistosoma mansoni	sugar transporter	0.0017	0.0201	0.0894
Giardia lamblia	Prolyl-tRNA synthetase	0.0035	0.0582	1
Leishmania major	glucose transporter, lmgt2	0.0037	0.0606	0.8651
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0037	0.0606	0.8651
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0118	0.2253	1
Trypanosoma brucei	glucose transporter 1E	0.0037	0.0606	0.8651
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0036	0.0597	0.0597
Brugia malayi	major facilitator superfamily protein	0.0017	0.0201	0.0894
Leishmania major	myo-inositol/proton symporter (MIT)	0.0017	0.0201	0.2874
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0118	0.2253	1
Echinococcus granulosus	lysyl tRNA synthetase	0.0026	0.0399	0.1769
Echinococcus multilocularis	lysyl tRNA synthetase	0.0026	0.0399	0.1769
Echinococcus multilocularis	solute carrier family 22	0.0017	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0037	0.0606	0.269
Brugia malayi	Major Facilitator Superfamily protein	0.0017	0.0201	0.0894
Plasmodium vivax	sugar transporter, putative	0.0017	0.0201	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0894
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0026	0.0399	0.5689
Brugia malayi	Carboxylesterase family protein	0.0077	0.1414	0.6277
Brugia malayi	hypothetical protein	0.0017	0.0201	0.0894
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0015	0.016	0.0709
Trichomonas vaginalis	myo-inositol transporter, putative	0.0017	0.0201	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.0037	0.0606	0.8651
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0118	0.2253	1
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0036	0.0597	0.0597
Mycobacterium ulcerans	sugar transporter	0.0017	0.0201	0.5052
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0017	0.0201	0.2874
Toxoplasma gondii	protein kinase, putative	0.0334	0.6612	1
Loa Loa (eye worm)	sugar transporter	0.0118	0.2253	1
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0041	0.0701	0.106
Trypanosoma brucei	glucose transporter, putative	0.0037	0.0606	0.8651
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0041	0.0701	1
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0041	0.0701	1
Leishmania major	glucose transporter, lmgt3	0.0037	0.0606	0.8651
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0013	0.0127	0.4001
Toxoplasma gondii	facilitative glucose transporter GT1	0.0118	0.2253	0.3408
Schistosoma mansoni	glucose transport protein	0.0118	0.2253	1
Treponema pallidum	prolyl-tRNA synthetase	0.0013	0.0119	1
Onchocerca volvulus		0.0017	0.0201	1
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1414	0.6277
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0035	0.0582	0.2583
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0036	0.0597	0.0597
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0597	0.2648
Trypanosoma cruzi	hexose transporter, putative	0.0037	0.0606	0.8651
Brugia malayi	Carboxylesterase family protein	0.0077	0.1414	0.6277
Echinococcus multilocularis	para nitrobenzyl esterase	0.0013	0.0127	0.0565
Leishmania major	protein kinase, putative	0.0036	0.0597	0.8517
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0036	0.0597	0.0597
Brugia malayi	Cam kinase protein 1	0.0036	0.0597	0.2648
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0606	0.269
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0118	0.2253	1
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0036	0.0597	0.0597
Trichomonas vaginalis	CAMK family protein kinase	0.0036	0.0597	0.2648
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0013	0.0127	0.0565
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0201	0.0894
Echinococcus granulosus	acetylcholinesterase	0.0077	0.1414	0.6277
Toxoplasma gondii	lysine-tRNA ligase	0.0026	0.0399	0.0603
Echinococcus granulosus	solute carrier family 22	0.0017	0.0201	0.0894
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0017	0.0201	0.6328
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0035	0.0582	0.9752
Echinococcus granulosus	calcium dependent protein kinase	0.0034	0.0552	0.2448
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0017	0.0201	0.0894
Toxoplasma gondii	transporter, major facilitator family protein	0.0017	0.0201	0.0305
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0118	0.2253	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0013	0.0127	0.0565
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0118	0.2253	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0127	0.0565
Schistosoma mansoni	BC026374 protein (S09 family)	0.0013	0.0127	0.0565
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Trypanosoma brucei	glucose transporter 2A	0.0037	0.0606	0.8651
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0035	0.0582	0.2583
Trichomonas vaginalis	conserved hypothetical protein	0.0118	0.2253	1
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0041	0.0701	1
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0036	0.0597	0.2648
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0201	0.0894
Schistosoma mansoni	sugar transporter	0.0017	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0894
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0013	0.0127	0.4001

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 27.6 nM	Inhibition of [125I]-AII binding to Angiotensin II receptor, type 1 of rat mesenteric arteries	ChEMBL.	8515425
IC50 (binding)	= 27.6 nM	Inhibition of [125I]-AII binding to Angiotensin II receptor, type 1 of rat mesenteric arteries	ChEMBL.	8515425
Kb (functional)	= 13 nM	Inhibition of angiotensin II induced vasoconstriction of rabbit aorta	ChEMBL.	8515425
Kb (functional)	= 13 nM	Inhibition of angiotensin II induced vasoconstriction of rabbit aorta	ChEMBL.	8515425

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

PubChem: 14952934

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 81334