TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 407.459 | Formula: C24H25NO5
H donors: 2 H acceptors: 4 LogP: 4.11 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCCc1cc(c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)C(=O)O)COC
InChi: 1S/C24H25NO5/c1-3-6-19-13-18(15-30-2)22(24(28)29)25(19)14-16-9-11-17(12-10-16)20-7-4-5-8-21(20)23(26)27/h4-5,7-13H,3,6,14-15H2,1-2H3,(H,26,27)(H,28,29)
InChiKey: XIQQEIKHVYEKEN-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

No synonyms found for this compound

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	fructose 1,6 bisphosphate aldolase	0.0099	0.2811	0.4508
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.003	0.0315	0.0197
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0046	0.0911	0.1474
Trypanosoma brucei	DNA polymerase kappa, putative	0.0066	0.1623	0.1782
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0045	0.0853	0.0579
Brugia malayi	Steroid receptor seven-up type 2	0.003	0.0315	0.0197
Plasmodium vivax	fructose 1,6-bisphosphate aldolase, putative	0.0099	0.2811	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.003	0.0315	0.0197
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0583	0.0469
Echinococcus granulosus	fructose 16 bisphosphate aldolase	0.0099	0.2811	0.4508
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0031	0.0345	0.0057
Brugia malayi	nuclear receptor NHR-88	0.003	0.0315	0.0197
Echinococcus multilocularis	thyroid hormone receptor alpha	0.003	0.0315	0.0043
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.1188	0.1082
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0583	0.0469
Entamoeba histolytica	hypothetical protein	0.0039	0.0649	0.7138
Entamoeba histolytica	hypothetical protein	0.0039	0.0649	0.7138
Loa Loa (eye worm)	steroid hormone receptor	0.003	0.0315	0.0197
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.003	0.0315	0.0197
Schistosoma mansoni	tyrosinase precursor	0.0089	0.2454	0.2228
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0089	0.2454	0.2362
Trypanosoma brucei	DNA polymerase kappa, putative	0.0087	0.239	0.2625
Loa Loa (eye worm)	hypothetical protein	0.0085	0.231	0.2216
Brugia malayi	photoreceptor-specific nuclear receptor	0.003	0.0315	0.0197
Trypanosoma cruzi	fructose-bisphosphate aldolase, glycosomal, putative	0.0099	0.2811	0.2814
Echinococcus multilocularis	geminin	0.0183	0.5881	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0583	0.0301
Schistosoma mansoni	hypothetical protein	0.0074	0.192	0.1679
Onchocerca volvulus		0.0089	0.2454	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0583	0.0469
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.003	0.0315	0.0197
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0089	0.2454	0.2362
Mycobacterium ulcerans	glutaminase	0.0297	1	1
Echinococcus granulosus	geminin	0.0183	0.5881	1
Treponema pallidum	methylgalactoside ABC transporter, periplasmic galactose-binding protein (mglB-2)	0.0265	0.8824	0.5
Loa Loa (eye worm)	hypothetical protein	0.003	0.0315	0.0197
Leishmania major	hypothetical protein, conserved	0.0037	0.0583	0.0271
Trypanosoma brucei	fructose-bisphosphate aldolase, glycosomal, putative	0.0099	0.2811	0.3087
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.003	0.0315	0.0043
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.003	0.0315	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0089	0.2449	0.2358
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0291	0.0173
Brugia malayi	beta-lactamase family protein	0.0037	0.0583	0.0469
Entamoeba histolytica	acetyltransferase, GNAT family	0.0042	0.0771	1
Brugia malayi	ecdysteroid receptor	0.003	0.0315	0.0197
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0583	0.0469
Brugia malayi	intermediate filament protein	0.0029	0.0291	0.0173
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0291	0.0173
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.003	0.0315	0.0043
Echinococcus multilocularis	FTZ F1 alpha	0.003	0.0315	0.0043
Echinococcus granulosus	fructose 16 bisphosphate aldolase	0.0099	0.2811	0.4508
Trypanosoma cruzi	fructose-bisphosphate aldolase, glycosomal, putative	0.0099	0.2811	0.2814
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.003	0.0315	0.0043
Trypanosoma brucei	DNA polymerase IV, putative	0.0073	0.1883	0.2068
Schistosoma mansoni	coup transcription factor	0.003	0.0315	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0037	0.057	0.0455
Trypanosoma brucei	DNA polymerase IV, putative	0.0087	0.239	0.2625
Loa Loa (eye worm)	hypothetical protein	0.003	0.0315	0.0197
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.003	0.0315	0.0197
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0091	0.254	0.4024
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0853	0.0937
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0087	0.239	0.2335
Echinococcus multilocularis	jun protein	0.0091	0.254	0.4024
Onchocerca volvulus		0.0089	0.2454	1
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0583	0.0316
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0046	0.0911	0.0349
Schistosoma mansoni	RAR-like nuclear receptor	0.003	0.0315	0.0025
Schistosoma mansoni	jun-related protein	0.0074	0.192	0.1679
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0583	0.0316
Leishmania major	hypothetical protein, conserved	0.0085	0.231	0.2242
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.003	0.0315	0.0025
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.1188	0.1082
Echinococcus granulosus	ecdysone induced protein 78C	0.003	0.0315	0.0043
Trypanosoma brucei	DNA polymerase kappa, putative	0.0087	0.239	0.2625
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0087	0.239	0.1919
Trypanosoma cruzi	squalene synthase, putative	0.0272	0.9105	1
Onchocerca volvulus		0.0037	0.0583	0.1352
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0583	0.0469
Echinococcus multilocularis	ecdysone induced protein 78C	0.003	0.0315	0.0043
Brugia malayi	ImpB/MucB/SamB family protein	0.0031	0.0345	0.0228
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0583	0.0316
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0031	0.0345	0.0057
Onchocerca volvulus	NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog	0.0085	0.231	0.9333
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0087	0.239	0.2335
Toxoplasma gondii	fructose-1,6-bisphosphate aldolase	0.0099	0.2811	1
Brugia malayi	Nuclear hormone receptor-like 1	0.003	0.0315	0.0197
Loa Loa (eye worm)	ShTK domain-containing protein	0.0089	0.2454	0.2362
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.003	0.0315	0.0197
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.003	0.0315	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0271	0.0153
Mycobacterium leprae	Possible D-ribose-binding protein	0.0265	0.8824	1
Leishmania major	fructose-1,6-bisphosphate aldolase	0.0099	0.2811	0.2814
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0158	0.4941	0.479
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0046	0.0911	0.0349
Trypanosoma brucei	unspecified product	0.0073	0.1883	0.2068
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.003	0.0315	0.0111
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0254	0.8424	0.8405
Entamoeba histolytica	hypothetical protein	0.0039	0.0649	0.7138
Toxoplasma gondii	fructose-bisphosphate aldolase, putative	0.0099	0.2811	1
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0089	0.2454	0.2362
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.003	0.0315	0.0197
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0153	0.4781	0.8033
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0583	0.0469
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.003	0.0315	0.0043
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.003	0.0315	0.0197
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.003	0.0315	0.0025
Echinococcus multilocularis	fructose bisphosphate aldolase class I	0.0099	0.2811	0.4508
Onchocerca volvulus		0.0089	0.2454	1
Echinococcus granulosus	dna polymerase eta	0.0031	0.0345	0.0098
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0583	0.0316
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.003	0.0315	0.0197
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.003	0.0315	0.0197
Schistosoma mansoni	hypothetical protein	0.0183	0.5881	0.5758
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0087	0.239	0.2335
Schistosoma mansoni	glutaminase	0.0297	1	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.2454	0.2362
Schistosoma mansoni	nuclear hormone receptor	0.003	0.0315	0.0025
Onchocerca volvulus	Bile acid receptor homolog	0.003	0.0315	0.0111
Mycobacterium ulcerans	DNA polymerase IV	0.0087	0.239	0.1919
Brugia malayi	hypothetical protein	0.0072	0.183	0.1731
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0031	0.0345	0.0228
Entamoeba histolytica	hypothetical protein	0.0039	0.0649	0.7138
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0583	0.0316
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.003	0.0315	0.0197
Loa Loa (eye worm)	hypothetical protein	0.003	0.0315	0.0197
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.1188	0.1082
Echinococcus granulosus	FTZ F1 alpha	0.003	0.0315	0.0043
Loa Loa (eye worm)	glutaminase 2	0.0297	1	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.003	0.0315	0.0111
Schistosoma mansoni	hypothetical protein	0.0183	0.5881	0.5758
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.003	0.0315	0.0043
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0046	0.0911	0.3031
Onchocerca volvulus		0.0072	0.183	0.7115
Brugia malayi	hypothetical protein	0.0039	0.0649	0.0536
Echinococcus granulosus	fructose bisphosphate aldolase class I	0.0099	0.2811	0.4508
Onchocerca volvulus		0.003	0.0315	0.0111
Brugia malayi	acetyltransferase, GNAT family protein	0.0158	0.4941	0.488
Loa Loa (eye worm)	hypothetical protein	0.003	0.0315	0.0197
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.003	0.0315	0.0025
Brugia malayi	polk-prov protein	0.0066	0.1623	0.1521
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.003	0.0315	0.0197
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0583	0.0316
Schistosoma mansoni	hypothetical protein	0.0039	0.0649	0.037
Schistosoma mansoni	tyrosinase precursor	0.0089	0.2454	0.2228
Brugia malayi	ShTK domain containing protein	0.0089	0.2454	0.2362
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.003	0.0315	0.0197
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0291	0.0173
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0031	0.0345	0.0098
Echinococcus granulosus	fructose 16 bisphosphate aldolase	0.0099	0.2811	0.4508
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0031	0.0345	0.0098
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.003	0.0315	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1188	0.1082
Schistosoma mansoni	fructose 16-bisphosphate aldolase	0.0099	0.2811	0.2596
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0583	0.0316
Schistosoma mansoni	DNA polymerase eta	0.0031	0.0345	0.0057
Brugia malayi	ImpB/MucB/SamB family protein	0.0031	0.0345	0.0228
Brugia malayi	beta-lactamase	0.0037	0.0583	0.0469
Trypanosoma brucei	DNA polymerase kappa, putative	0.0035	0.0507	0.0557
Trypanosoma cruzi	phytoene synthase, putative	0.0085	0.231	0.2242
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0089	0.2454	0.2362
Trypanosoma brucei	DNA polymerase kappa, putative	0.0035	0.0507	0.0557
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0583	0.0523
Loa Loa (eye worm)	glutaminase	0.0297	1	1
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0649	0.037
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0583	0.064
Toxoplasma gondii	fructose-1,6-bisphosphate aldolase	0.0099	0.2811	1
Brugia malayi	fructose-bisphosphate aldolase 1	0.0099	0.2811	0.2723
Leishmania major	DNA polymerase kappa, putative	0.0045	0.0853	0.0579
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1623	0.1521
Schistosoma mansoni	thyroid hormone receptor	0.003	0.0315	0.0025
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.003	0.0315	0.0043
Trypanosoma brucei	DNA polymerase IV, putative	0.0087	0.239	0.2625
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0045	0.0853	0.0675
Trichomonas vaginalis	DNA polymerase eta, putative	0.0087	0.239	0.1919
Loa Loa (eye worm)	ShTK domain-containing protein	0.0089	0.2454	0.2362
Trypanosoma brucei	DNA polymerase kappa, putative	0.0087	0.239	0.2625
Trypanosoma cruzi	fructose-bisphosphate aldolase, glycosomal, putative	0.0099	0.2811	0.2814
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0649	0.0642
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0046	0.0911	0.3031
Mycobacterium tuberculosis	Probable phytoene synthase PhyA	0.0085	0.231	0.2613
Trypanosoma brucei	DNA polymerase kappa, putative	0.0066	0.1623	0.1782
Echinococcus multilocularis	dna polymerase kappa	0.0087	0.239	0.3756
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0583	0.0469
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0583	0.0523
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.003	0.0315	0.0197
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0583	0.0316
Loa Loa (eye worm)	acetyltransferase	0.0158	0.4941	0.488
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.003	0.0315	0.0197
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0583	0.0316
Mycobacterium ulcerans	DNA polymerase IV	0.0087	0.239	0.1919
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.003	0.0315	0.0043
Trypanosoma cruzi	fructose-bisphosphate aldolase, glycosomal, putative	0.0099	0.2811	0.2814
Treponema pallidum	methylgalactoside ABC transporter, periplasmic galactose-binding protein (mglB-1)	0.0265	0.8824	0.5
Brugia malayi	follicle stimulating hormone receptor	0.0254	0.8424	0.8405
Echinococcus multilocularis	dna polymerase eta	0.0031	0.0345	0.0098
Brugia malayi	steroid hormone receptor	0.003	0.0315	0.0197
Trypanosoma brucei	squalene synthase, putative	0.0272	0.9105	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0087	0.239	0.2335
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.003	0.0315	0.0043
Toxoplasma gondii	ABC1 family protein	0.0037	0.0583	0.1827
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0091	0.254	0.4024
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.003	0.0315	0.0043
Loa Loa (eye worm)	fructose-bisphosphate aldolase 1	0.0099	0.2811	0.2723
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0583	0.0316
Loa Loa (eye worm)	hypothetical protein	0.003	0.0315	0.0197
Schistosoma mansoni	hypothetical protein	0.0085	0.231	0.2079
Schistosoma mansoni	fructose 16-bisphosphate aldolase	0.0099	0.2811	0.2596
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.003	0.0315	0.0197
Onchocerca volvulus		0.0037	0.0583	0.1352
Trypanosoma brucei	DNA polymerase kappa, putative	0.0087	0.239	0.2625
Mycobacterium ulcerans	phytoene synthase, CrtB	0.0085	0.231	0.1833
Loa Loa (eye worm)	hypothetical protein	0.003	0.0315	0.0197
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.003	0.0315	0.0043
Trypanosoma brucei	DNA polymerase kappa, putative	0.0035	0.0507	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0583	0.0469
Trypanosoma brucei	DNA polymerase kappa, putative	0.0087	0.239	0.2625
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0583	0.0271
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.003	0.0315	0.0043
Onchocerca volvulus		0.0089	0.2454	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0583	0.0271
Giardia lamblia	DINP protein human, muc B family	0.0045	0.0853	1
Brugia malayi	fructose-bisphosphate aldolase 2	0.0099	0.2811	0.2723
Brugia malayi	bZIP transcription factor family protein	0.0091	0.254	0.245
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.003	0.0315	0.0043
Brugia malayi	nuclear hormone receptor	0.003	0.0315	0.0197
Trypanosoma brucei	DNA polymerase kappa, putative	0.0087	0.239	0.2625
Echinococcus granulosus	Squalene phytoene synthase	0.0085	0.231	0.3611
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0291	0.0173
Loa Loa (eye worm)	fructose-bisphosphate aldolase 2	0.0099	0.2811	0.2723
Loa Loa (eye worm)	hypothetical protein	0.0089	0.2454	0.2362
Schistosoma mansoni	thyroid hormone receptor	0.003	0.0315	0.0025
Trichomonas vaginalis	glutaminase, putative	0.0297	1	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.003	0.0315	0.0025
Echinococcus granulosus	dna polymerase kappa	0.0087	0.239	0.3756
Trypanosoma brucei	DNA polymerase kappa, putative	0.0087	0.239	0.2625
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.003	0.0315	0.0197
Onchocerca volvulus		0.0037	0.0583	0.1352
Loa Loa (eye worm)	tyrosinase 1	0.0089	0.2454	0.2362
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.003	0.0315	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0345	0.0228
Trypanosoma brucei	DNA polymerase kappa, putative	0.0087	0.239	0.2625
Trypanosoma cruzi	squalene synthase, putative	0.0272	0.9105	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.057	0.0455
Echinococcus multilocularis	fructose 1,6 bisphosphate aldolase	0.0099	0.2811	0.4508
Schistosoma mansoni	retinoic acid receptor RXR	0.003	0.0315	0.0025
Echinococcus granulosus	jun protein	0.0091	0.254	0.4024
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.003	0.0315	0.0197
Plasmodium falciparum	fructose-bisphosphate aldolase	0.0099	0.2811	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0046	0.0911	0.111
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.003	0.0315	0.0197
Brugia malayi	beta-lactamase family protein	0.0037	0.0583	0.0469
Loa Loa (eye worm)	hypothetical protein	0.003	0.0315	0.0197
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0238	0.7862	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0031	0.0345	0.0379
Echinococcus multilocularis	Squalene phytoene synthase	0.0085	0.231	0.3611
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0649	0.0642
Schistosoma mansoni	steroid hormone receptor ad4bp	0.003	0.0315	0.0025
Schistosoma mansoni	hypothetical protein	0.0037	0.057	0.0287
Trypanosoma brucei	DNA polymerase kappa, putative	0.0087	0.239	0.2625
Brugia malayi	Common central domain of tyrosinase family protein	0.0089	0.2454	0.2362
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0158	0.4941	0.8319
Leishmania major	squalene synthase, putative	0.0272	0.9105	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0315	0.0197
Echinococcus multilocularis	fructose 1,6 bisphosphate aldolase	0.0099	0.2811	0.4508
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0583	0.0469
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0583	0.0301

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 4500 nM	Inhibition of [125l]-All binding to bovine adrenal cortex	ChEMBL.	No reference
IC50 (binding)	= 4500 nM	Inhibition of [125l]-All binding to bovine adrenal cortex	ChEMBL.	No reference
ID50 (functional)	= 4.2 mg kg-1	Compound tested for in vivo inhibitory dose against All-induced pressor response in normotensive, conscious rats	ChEMBL.	No reference

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: CHEMBL50592

Bibliographic References

No literature references available for this target.

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Detailed information for compound 75222