TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 437.546 | Formula: C27H32FNO3
H donors: 1 H acceptors: 3 LogP: 5.76 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O[C@@H]1CC(=O)O[C@H](C1)/C=C/c1c(nc(cc1c1ccc(cc1)F)C1CCCCC1)C(C)C
InChi: 1S/C27H32FNO3/c1-17(2)27-23(13-12-22-14-21(30)15-26(31)32-22)24(18-8-10-20(28)11-9-18)16-25(29-27)19-6-4-3-5-7-19/h8-13,16-17,19,21-22,30H,3-7,14-15H2,1-2H3/b13-12+/t21-,22?/m1/s1
InChiKey: HBGOTWCUTKTDHB-OBMBWQOYSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Treponema pallidum	bacterioferrin (TpF1)	0.0017	0.0037	0.5
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0128	0.0238
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.046	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0165	0.184	0.444
Echinococcus granulosus	neuropeptide s receptor	0.0614	0.7314	1
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0165	0.184	0.3159
Brugia malayi	G-protein coupled receptor	0.0165	0.184	0.3159
Schistosoma mansoni	neuropeptide receptor	0.0165	0.184	0.444
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0165	0.184	0.444
Entamoeba histolytica	hypothetical protein	0.0074	0.0734	0.6417
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.033	0.3856	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0165	0.184	0.444
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0074	0.0734	0.0984
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Echinococcus multilocularis	orexin receptor type 2	0.0165	0.184	0.1827
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0155	0.1718	0.8474
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0165	0.184	0.444
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0165	0.184	0.444
Onchocerca volvulus		0.0165	0.184	1
Echinococcus multilocularis	g-protein coupled receptor	0.0165	0.184	0.1827
Schistosoma mansoni	hypothetical protein	0.0042	0.0343	0.0796
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Echinococcus multilocularis	sterol regulatory element binding protein	0.018	0.202	0.2008
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0165	0.184	0.1827
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.033	0.3856	1
Schistosoma mansoni	amine GPCR	0.0165	0.184	0.444
Schistosoma mansoni	ferritin	0.0017	0.0037	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0052	0.0089
Echinococcus granulosus	Niemann Pick C1 protein	0.0102	0.1073	0.1448
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0023	0.0112	0.0131
Echinococcus granulosus	g protein coupled receptor	0.0165	0.184	0.2499
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0155	0.1718	0.8474
Echinococcus granulosus	fmrfamide receptor	0.0165	0.184	0.2499
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0026	0.0146	0.0285
Schistosoma mansoni	neuropeptide receptor	0.0165	0.184	0.444
Echinococcus multilocularis	fmrfamide receptor	0.0165	0.184	0.1827
Brugia malayi	Dopamine receptor protein 1	0.0165	0.184	0.3159
Schistosoma mansoni	hypothetical protein	0.01	0.1051	0.252
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Echinococcus multilocularis	protein patched	0.018	0.202	0.2008
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0165	0.184	0.1827
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0165	0.184	0.3159
Schistosoma mansoni	amine GPCR	0.0165	0.184	0.444
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0075	0.0736	0.1265
Schistosoma mansoni	hypothetical protein	0.0165	0.184	0.444
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0128	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0165	0.184	0.444
Schistosoma mansoni	ets-related	0.0226	0.2586	0.6256
Brugia malayi	Serotonin receptor	0.0165	0.184	0.3159
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0052	0.004
Trypanosoma brucei	PAB1-binding protein , putative	0.0052	0.046	0.0848
Brugia malayi	Dopamine receptor	0.0165	0.184	0.3159
Echinococcus multilocularis	neuropeptide receptor A26	0.0614	0.7314	0.731
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Echinococcus granulosus	rhodopsin orphan GPCR	0.0165	0.184	0.2499
Brugia malayi	Dopamine receptor protein 2	0.0165	0.184	0.3159
Brugia malayi	G protein-coupled receptor	0.0165	0.184	0.3159
Echinococcus multilocularis	lamin dm0	0.0026	0.0149	0.0133
Schistosoma mansoni	growth hormone secretagogue receptor	0.0165	0.184	0.444
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0052	0.0089
Onchocerca volvulus		0.0165	0.184	1
Onchocerca volvulus		0.0165	0.184	1
Brugia malayi	hypothetical protein	0.0165	0.184	0.3159
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0165	0.184	0.1827
Echinococcus granulosus	somatostatin receptor	0.0165	0.184	0.2499
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0165	0.184	0.2499
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0165	0.184	0.444
Echinococcus granulosus	rhodopsin orphan GPCR	0.0165	0.184	0.2499
Echinococcus multilocularis	g protein coupled receptor	0.0165	0.184	0.1827
Schistosoma mansoni	biogenic amine receptor	0.0165	0.184	0.444
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0165	0.184	0.3159
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0234	0.0401
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.01	0.1051	0.1805
Echinococcus multilocularis	protein dispatched 1	0.0186	0.2096	0.2083
Brugia malayi	hypothetical protein	0.0165	0.184	0.3159
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Schistosoma mansoni	hypothetical protein	0.0165	0.184	0.444
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.004	0.0338
Schistosoma mansoni	patched 1	0.018	0.202	0.4879
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Echinococcus granulosus	sterol regulatory element binding protein	0.018	0.202	0.2747
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0165	0.184	0.1827
Echinococcus granulosus	intermediate filament protein	0.0026	0.0149	0.0183
Echinococcus granulosus	neuropeptide FF receptor 2	0.0165	0.184	0.2499
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0421	0.0723
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Echinococcus granulosus	g-protein coupled receptor	0.0165	0.184	0.2499
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0165	0.184	0.444
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0605	0.1038
Echinococcus multilocularis	serotonin receptor	0.0165	0.184	0.1827
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Loa Loa (eye worm)	neuropeptide F receptor	0.0165	0.184	0.3159
Schistosoma mansoni	hypothetical protein	0.0165	0.184	0.444
Schistosoma mansoni	neuropeptide F-like receptor	0.0165	0.184	0.444
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0052	0.0089
Schistosoma mansoni	transcription factor LCR-F1	0.0074	0.0734	0.1749
Loa Loa (eye worm)	hypothetical protein	0.033	0.3856	0.6621
Entamoeba histolytica	hypothetical protein	0.0074	0.0734	0.6417
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0165	0.184	0.3159
Echinococcus granulosus	7tm_1 domain containing protein	0.0165	0.184	0.2499
Echinococcus granulosus	survival motor neuron protein 1	0.0492	0.5824	0.7957
Brugia malayi	sulfakinin receptor protein	0.0165	0.184	0.3159
Echinococcus multilocularis	neuropeptide Y receptor	0.0165	0.184	0.1827
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0052	0.0089
Echinococcus multilocularis	Niemann Pick C1 protein	0.0282	0.3265	0.3255
Echinococcus multilocularis	neuropeptides capa receptor	0.0165	0.184	0.1827
Brugia malayi	G protein-coupled receptor F59B2.13	0.0165	0.184	0.3159
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0016	0.0027
Brugia malayi	Fli-1 protein	0.0226	0.2586	0.4441
Schistosoma mansoni	hypothetical protein	0.0352	0.4124	1
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0165	0.184	0.1827
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0165	0.184	0.2499
Plasmodium vivax	ataxin-2 like protein, putative	0.0052	0.046	1
Echinococcus granulosus	neuropeptide Y receptor	0.0165	0.184	0.2499
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0165	0.184	0.1827
Loa Loa (eye worm)	G-protein coupled receptor	0.0165	0.184	0.3159
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.004	0.0338
Brugia malayi	larval opioid receptor	0.0165	0.184	0.3159
Echinococcus multilocularis	serotonin receptor	0.0165	0.184	0.1827
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0128	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Echinococcus granulosus	neuropeptides capa receptor	0.0165	0.184	0.2499
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0165	0.184	0.1827
Brugia malayi	CHE-14 protein	0.018	0.202	0.347
Schistosoma mansoni	ferritin	0.0017	0.0037	0.0051
Onchocerca volvulus		0.0165	0.184	1
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0102	0.1073	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0165	0.184	0.444
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0128	0.0219
Schistosoma mansoni	neuropeptide F-like receptor	0.0165	0.184	0.444
Brugia malayi	putative neuropeptide receptor NPR1	0.0165	0.184	0.3159
Brugia malayi	GnHR receptor homolog	0.0165	0.184	0.3159
Leishmania major	hypothetical protein, conserved	0.0052	0.046	0.0892
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0165	0.184	0.2499
Brugia malayi	hypothetical protein	0.0165	0.184	0.3159
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0165	0.184	0.2499
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0128	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Schistosoma mansoni	histamine h1 receptor	0.0165	0.184	0.444
Schistosoma mansoni	hypothetical protein	0.0023	0.0112	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Echinococcus granulosus	Protein patched homolog 1	0.018	0.202	0.2747
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.046	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0149	0.0256
Echinococcus granulosus	G protein coupled receptor 139	0.0165	0.184	0.2499
Brugia malayi	hypothetical protein	0.0074	0.0734	0.1261
Echinococcus multilocularis	expressed protein	0.0017	0.0037	0.0021
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0165	0.184	0.444
Schistosoma mansoni	ferritin light chain	0.0017	0.0037	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0016	0.0027
Onchocerca volvulus		0.0165	0.184	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0128	0.0238
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0165	0.184	0.2499
Schistosoma mansoni	gabp alpha	0.0075	0.0736	0.1754
Onchocerca volvulus		0.0165	0.184	1
Echinococcus multilocularis	neuropeptide s receptor	0.0614	0.7314	0.731
Schistosoma mansoni	amine GPCR	0.0165	0.184	0.444
Echinococcus granulosus	biogenic amine 5HT receptor	0.0165	0.184	0.2499
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0128	0.0238
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0165	0.184	0.3159
Echinococcus granulosus	g protein coupled receptor	0.0165	0.184	0.2499
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0165	0.184	0.444
Echinococcus granulosus	expressed protein	0.0017	0.0037	0.0029
Onchocerca volvulus		0.0165	0.184	1
Echinococcus granulosus	serotonin receptor	0.0165	0.184	0.2499
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0023	0.0112	0.0096
Echinococcus granulosus	rhodopsin orphan GPCR	0.0165	0.184	0.2499
Schistosoma mansoni	hypothetical protein	0.0352	0.4124	1
Schistosoma mansoni	neuropeptide receptor	0.0165	0.184	0.444
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0421	0.0723
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0165	0.184	0.444
Echinococcus granulosus	allatostatin A receptor	0.0165	0.184	0.2499
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0052	0.0089
Loa Loa (eye worm)	CYP4Cod1	0.0026	0.0146	0.025
Brugia malayi	hypothetical protein	0.0165	0.184	0.3159
Echinococcus granulosus	rhodopsin orphan GPCR	0.0165	0.184	0.2499
Brugia malayi	hypothetical protein	0.0165	0.184	0.3159
Brugia malayi	hypothetical protein	0.0033	0.0236	0.0406
Schistosoma mansoni	opsin-like receptor	0.0165	0.184	0.444
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Echinococcus multilocularis	g protein coupled receptor	0.0165	0.184	0.1827
Brugia malayi	Melatonin receptor type 1A	0.0165	0.184	0.3159
Schistosoma mansoni	hypothetical protein	0.0042	0.0343	0.0796
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0165	0.184	0.444
Loa Loa (eye worm)	fli-1 protein	0.0226	0.2586	0.4441
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0149	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0054	0.0093
Onchocerca volvulus		0.0165	0.184	1
Brugia malayi	AKH receptor	0.0165	0.184	0.3159
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0165	0.184	0.3159
Schistosoma mansoni	apoferritin-2	0.0017	0.0037	0.0051
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0165	0.184	0.444
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0128	0.0238
Echinococcus multilocularis	neuropeptides capa receptor	0.0165	0.184	0.1827
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0128	1
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Loa Loa (eye worm)	melatonin receptor type 1A	0.0165	0.184	0.3159
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.033	0.3856	0.3846
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0165	0.184	0.444
Echinococcus multilocularis	fmrfamide receptor	0.0165	0.184	0.1827
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0165	0.184	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0421	0.0723
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0165	0.184	0.444
Schistosoma mansoni	myosin xvIII	0.0165	0.184	0.444
Echinococcus granulosus	rhodopsin orphan GPCR	0.0165	0.184	0.2499
Echinococcus multilocularis	somatostatin receptor	0.0165	0.184	0.1827
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Schistosoma mansoni	opsin-like receptor	0.0165	0.184	0.444
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0128	0.0238
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.033	0.3856	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0492	0.5824	0.5817
Brugia malayi	Ets-domain containing protein	0.0075	0.0736	0.1265
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.018	0.202	0.347
Brugia malayi	neuropeptide F receptor	0.0165	0.184	0.3159
Brugia malayi	Cytochrome P450 family protein	0.0026	0.0146	0.025
Leishmania major	cytochrome p450-like protein	0.0026	0.0146	0.0048
Echinococcus multilocularis	allatostatin A receptor	0.0165	0.184	0.1827
Echinococcus granulosus	neuropeptide Y receptor	0.0165	0.184	0.2499
Brugia malayi	putative neuropeptide receptor	0.0165	0.184	0.3159
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0128	0.0219
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0165	0.184	0.1827
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.004	0.0338
Brugia malayi	hypothetical protein	0.0052	0.046	0.079
Entamoeba histolytica	hypothetical protein	0.0074	0.0734	0.6417
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0165	0.184	0.444
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Echinococcus multilocularis	neuropeptide receptor	0.0165	0.184	0.1827
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0165	0.184	0.2499
Brugia malayi	follicle stimulating hormone receptor	0.0165	0.184	0.3159
Entamoeba histolytica	hypothetical protein	0.0074	0.0734	0.6417
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0165	0.184	0.1827
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0128	0.0238
Echinococcus granulosus	tm gpcr rhodopsin	0.0165	0.184	0.2499
Onchocerca volvulus		0.0165	0.184	1
Echinococcus multilocularis	musashi	0.0026	0.0149	0.0133
Brugia malayi	hypothetical protein	0.0165	0.184	0.3159
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0128	0.0219
Schistosoma mansoni	hypothetical protein	0.0074	0.0734	0.1749
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0165	0.184	0.1827
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0165	0.184	0.1827
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0421	0.0723
Echinococcus multilocularis	lamin	0.0026	0.0149	0.0133
Brugia malayi	Niemann-Pick C1 protein precursor	0.0102	0.1073	0.1842
Brugia malayi	Ets-domain containing protein	0.0075	0.0736	0.1265
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0165	0.184	0.2499
Echinococcus granulosus	tm gpcr rhodopsin	0.0165	0.184	0.2499
Schistosoma mansoni	hypothetical protein	0.0042	0.0343	0.0796
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0165	0.184	0.444
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0165	0.184	0.3159
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0016	0.0027
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.0146	0.025
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0165	0.184	0.1827
Echinococcus granulosus	neuropeptide receptor	0.0165	0.184	0.2499
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Schistosoma mansoni	amine GPCR	0.0165	0.184	0.444
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1073	0.1842
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0165	0.184	0.1827
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0017	0.0037	0.5
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	0.033	0.3856	0.6621
Brugia malayi	hypothetical protein	0.0165	0.184	0.3159
Schistosoma mansoni	amine GPCR	0.0165	0.184	0.444
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0165	0.184	0.444
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0165	0.184	0.444
Echinococcus granulosus	orexin receptor type 2	0.0165	0.184	0.2499
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0165	0.184	0.1827
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0165	0.184	0.3159
Brugia malayi	hypothetical protein	0.0492	0.5824	1
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.033	0.3856	1
Brugia malayi	neuropeptide F receptor	0.0165	0.184	0.3159
Echinococcus granulosus	geminin	0.0352	0.4124	0.5629
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0128	1
Onchocerca volvulus		0.0165	0.184	1
Onchocerca volvulus		0.01	0.1051	0.5392
Brugia malayi	intermediate filament protein	0.0026	0.0149	0.0256
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0165	0.184	0.444
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0149	0.0324
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0165	0.184	0.444
Loa Loa (eye worm)	hypothetical protein	0.018	0.202	0.347
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0234	0.0401
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0165	0.184	0.1827
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0165	0.184	0.444
Schistosoma mansoni	adenoreceptor	0.0165	0.184	0.444
Onchocerca volvulus		0.0165	0.184	1
Echinococcus granulosus	expressed conserved protein	0.0096	0.0997	0.1345
Echinococcus multilocularis	neuropeptide Y receptor	0.0165	0.184	0.1827
Echinococcus granulosus	lamin	0.0026	0.0149	0.0183
Onchocerca volvulus		0.0165	0.184	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0165	0.184	0.1827
Echinococcus granulosus	dro:myosuppressin receptor	0.0165	0.184	0.2499
Schistosoma mansoni	biogenic amine receptor	0.0165	0.184	0.444
Schistosoma mansoni	lamin	0.0026	0.0149	0.0324
Echinococcus multilocularis	ferritin	0.0017	0.0037	0.0021
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.024	0.275	0.6656
Brugia malayi	Serotonin receptor	0.0165	0.184	0.3159
Schistosoma mansoni	lamin	0.0026	0.0149	0.0324
Echinococcus granulosus	neuropeptides capa receptor	0.0165	0.184	0.2499
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0165	0.184	0.1827
Loa Loa (eye worm)	hypothetical protein	0.0052	0.046	0.079
Echinococcus granulosus	rhodopsin orphan GPCR	0.0165	0.184	0.2499
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0165	0.184	0.3159
Echinococcus multilocularis	G protein coupled receptor 139	0.0165	0.184	0.1827
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0165	0.184	0.1827
Echinococcus granulosus	tm gpcr rhodopsin	0.0165	0.184	0.2499
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0165	0.184	0.1827
Schistosoma mansoni	neuropeptide receptor	0.0165	0.184	0.444
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0165	0.184	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0165	0.184	0.2499
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0149	0.0256
Echinococcus multilocularis	sex peptide receptor	0.0165	0.184	0.1827
Onchocerca volvulus		0.0165	0.184	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0128	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Loa Loa (eye worm)	G-protein coupled receptor	0.0165	0.184	0.3159
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0482	0.0828
Onchocerca volvulus		0.0165	0.184	1
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0155	0.1718	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0165	0.184	0.444
Echinococcus granulosus	GA binding protein alpha chain	0.0075	0.0736	0.0987
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0016	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Schistosoma mansoni	opsin-like receptor	0.0165	0.184	0.444
Schistosoma mansoni	biogenic amine receptor	0.0165	0.184	0.444
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0165	0.184	0.3159
Echinococcus multilocularis	dro:myosuppressin receptor	0.0165	0.184	0.1827
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.046	0.0848
Loa Loa (eye worm)	TYRA-2 protein	0.0165	0.184	0.3159
Schistosoma mansoni	hypothetical protein	0.0033	0.0234	0.053
Loa Loa (eye worm)	hypothetical protein	0.0492	0.5824	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0074	0.0734	0.072
Brugia malayi	ORL1-like opioid receptor	0.0165	0.184	0.3159
Schistosoma mansoni	hypothetical protein	0.0165	0.184	0.444
Schistosoma mansoni	ferritin	0.0017	0.0037	0.0051
Echinococcus multilocularis	g protein coupled receptor	0.0165	0.184	0.1827
Echinococcus multilocularis	geminin	0.0352	0.4124	0.4115
Echinococcus granulosus	hypothetical protein	0.0165	0.184	0.2499
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0165	0.184	0.2499
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0165	0.184	0.3159
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0143	0.0246
Onchocerca volvulus		0.0026	0.0149	0.0124
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0165	0.184	0.1827
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0165	0.184	0.1827
Brugia malayi	RE15519p	0.0165	0.184	0.3159
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0128	0.0219
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0165	0.184	0.444
Echinococcus granulosus	7TM GPCR rhodopsin	0.0165	0.184	0.2499
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.046	0.0848
Trichomonas vaginalis	conserved hypothetical protein	0.018	0.202	1
Schistosoma mansoni	survival motor neuron protein	0.01	0.1051	0.252
Echinococcus multilocularis	Niemann Pick C1 protein	0.0102	0.1073	0.1059
Schistosoma mansoni	apoferritin-2	0.0017	0.0037	0.0051
Loa Loa (eye worm)	neuropeptide F receptor	0.0165	0.184	0.3159
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.033	0.3856	1
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0155	0.1718	0.8474
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.033	0.3856	0.5261
Brugia malayi	hypothetical protein	0.0165	0.184	0.3159
Echinococcus granulosus	ferritin	0.0017	0.0037	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Schistosoma mansoni	ferritin	0.0017	0.0037	0.0051
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.004	0.0338
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0165	0.184	0.1827
Echinococcus multilocularis	neuropeptide receptor	0.0165	0.184	0.1827
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0165	0.184	0.1827
Brugia malayi	hypothetical protein	0.0165	0.184	0.3159
Toxoplasma gondii	LsmAD domain-containing protein	0.0052	0.046	0.5
Echinococcus multilocularis	GA binding protein alpha chain	0.0075	0.0736	0.0722
Onchocerca volvulus		0.0165	0.184	1
Schistosoma mansoni	hypothetical protein	0.0042	0.0343	0.0796
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0128	0.0219
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0052	0.5
Echinococcus granulosus	Niemann Pick C1 protein	0.0282	0.3265	0.4452
Brugia malayi	Cytochrome P450 family protein	0.0026	0.0146	0.025
Brugia malayi	hypothetical protein	0.0165	0.184	0.3159
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.033	0.3856	0.9347
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0149	0.0256
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0165	0.184	0.1827
Echinococcus granulosus	lamin dm0	0.0026	0.0149	0.0183
Echinococcus granulosus	neuropeptide receptor	0.0165	0.184	0.2499
Echinococcus multilocularis	expressed conserved protein	0.0096	0.0997	0.0983
Schistosoma mansoni	neuropeptide f receptor 76f	0.0165	0.184	0.444
Loa Loa (eye worm)	hypothetical protein	0.0165	0.184	0.3159
Onchocerca volvulus		0.0165	0.184	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0165	0.184	0.2499
Schistosoma mansoni	ferritin light chain	0.0017	0.0037	0.0051
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0128	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0165	0.184	0.2499
Onchocerca volvulus		0.0165	0.184	1
Echinococcus granulosus	neuropeptide receptor A26	0.0614	0.7314	1
Echinococcus granulosus	g protein coupled receptor	0.0165	0.184	0.2499
Brugia malayi	G-protein coupled receptor	0.0165	0.184	0.3159
Echinococcus granulosus	sex peptide receptor	0.0165	0.184	0.2499
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.0146	0.025
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0052	0.1681
Onchocerca volvulus		0.0026	0.0149	0.0124

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 4 nM	In vitro inhibition of rat liver HMG-CoA reductase	ChEMBL.	2296036
IC50 (binding)	= 9.5 nM	Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into cholesterol.	ChEMBL.	2296036
Relative potency (binding)	= 5.26	Relative inhibition of HMG-CoA reductase compared to Mevinolin.	ChEMBL.	2296036

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: 358857

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 269419