TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 495.335 | Formula: C26H25FLi2NO5P
H donors: 1 H acceptors: 6 LogP: 3.8 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O[C@@H](CP(=O)(/C=C/c1c(nc(cc1c1ccc(cc1)F)c1ccccc1)C(C)C)[O-])CC(=O)[O-].[Li+].[Li+]
InChi: 1S/C26H27FNO5P.2Li/c1-17(2)26-22(12-13-34(32,33)16-21(29)14-25(30)31)23(18-8-10-20(27)11-9-18)15-24(28-26)19-6-4-3-5-7-19;;/h3-13,15,17,21,29H,14,16H2,1-2H3,(H,30,31)(H,32,33);;/q;2*+1/p-2/b13-12+;;/t21-;;/m1../s1
InChiKey: VYYJNGZQZMKARF-XBNHNSCNSA-L

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
Rattus norvegicus	HMG-CoA reductase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma brucei gambiense	3-hydroxy-3-methylglutaryl-CoA reductase, putative	Get druggable targets OG5_127955	All targets in OG5_127955
Schistosoma japonicum	ko:K00021 3-hydroxy-3-methylglutaryl-CoA reductase [EC1.1.1.34], putative	Get druggable targets OG5_127955	All targets in OG5_127955
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	Get druggable targets OG5_127955	All targets in OG5_127955
Leishmania infantum	3-hydroxy-3-methylglutaryl-CoA reductase, putative	Get druggable targets OG5_127955	All targets in OG5_127955
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	Get druggable targets OG5_127955	All targets in OG5_127955
Candida albicans	hydroxymethylglutaryl-CoA reductase (ergosterol biosynthesis)	Get druggable targets OG5_127955	All targets in OG5_127955
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	Get druggable targets OG5_127955	All targets in OG5_127955
Trypanosoma congolense	3-hydroxy-3-methylglutaryl-CoA reductase, putative	Get druggable targets OG5_127955	All targets in OG5_127955
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	Get druggable targets OG5_127955	All targets in OG5_127955
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127955	All targets in OG5_127955
Leishmania donovani	3-hydroxy-3-methylglutaryl-CoA reductase, putative	Get druggable targets OG5_127955	All targets in OG5_127955
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	Get druggable targets OG5_127955	All targets in OG5_127955
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	Get druggable targets OG5_127955	All targets in OG5_127955
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	Get druggable targets OG5_127955	All targets in OG5_127955
Leishmania braziliensis	3-hydroxy-3-methylglutaryl-CoA reductase, putative	Get druggable targets OG5_127955	All targets in OG5_127955
Leishmania mexicana	3-hydroxy-3-methylglutaryl-CoA reductase, putative	Get druggable targets OG5_127955	All targets in OG5_127955
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	Get druggable targets OG5_127955	All targets in OG5_127955
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	Get druggable targets OG5_127955	All targets in OG5_127955
Candida albicans	hydroxymethylglutaryl-CoA reductase (ergosterol biosynthesis)	Get druggable targets OG5_127955	All targets in OG5_127955

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
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0021	0	0.5
Brugia malayi	sulfakinin receptor protein	0.011	0.6165	0.6165
Schistosoma mansoni	growth hormone secretagogue receptor	0.011	0.6165	0.6165
Echinococcus granulosus	Protein patched homolog 1	0.0068	0.3279	0.3279
Echinococcus granulosus	orexin receptor type 2	0.011	0.6165	0.6165
Echinococcus granulosus	neuropeptides capa receptor	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Echinococcus granulosus	7TM GPCR rhodopsin	0.011	0.6165	0.6165
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0031	0.0705	0.0705
Loa Loa (eye worm)	cytochrome P450 family protein	0.0031	0.0705	0.0705
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0021	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Brugia malayi	G protein-coupled receptor F59B2.13	0.011	0.6165	0.6165
Echinococcus multilocularis	neuropeptide s receptor	0.011	0.6165	0.6165
Onchocerca volvulus		0.011	0.6165	0.5
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Echinococcus multilocularis	allatostatin A receptor	0.011	0.6165	0.6165
Trypanosoma cruzi	cytochrome P450, putative	0.0031	0.0705	0.0705
Brugia malayi	neuropeptide F receptor	0.011	0.6165	0.6165
Echinococcus multilocularis	g-protein coupled receptor	0.011	0.6165	0.6165
Schistosoma mansoni	opsin-like receptor	0.011	0.6165	0.6165
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.0165	1	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.011	0.6165	0.6165
Onchocerca volvulus		0.011	0.6165	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0021	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.011	0.6165	0.6165
Brugia malayi	neuropeptide F receptor	0.011	0.6165	0.6165
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.011	0.6165	0.6165
Brugia malayi	hypothetical protein	0.011	0.6165	0.6165
Echinococcus granulosus	hypothetical protein	0.011	0.6165	0.6165
Loa Loa (eye worm)	melatonin receptor type 1A	0.011	0.6165	0.6165
Echinococcus multilocularis	sex peptide receptor	0.011	0.6165	0.6165
Echinococcus multilocularis	sterol regulatory element binding protein	0.0068	0.3279	0.3279
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.011	0.6165	0.6165
Echinococcus multilocularis	g protein coupled receptor	0.011	0.6165	0.6165
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0021	0	0.5
Onchocerca volvulus		0.011	0.6165	0.5
Echinococcus granulosus	tachykinin peptides receptor 99D	0.011	0.6165	0.6165
Echinococcus multilocularis	rhodopsin orphan GPCR	0.011	0.6165	0.6165
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.011	0.6165	0.6165
Onchocerca volvulus		0.011	0.6165	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.011	0.6165	0.6165
Echinococcus granulosus	allatostatin A receptor	0.011	0.6165	0.6165
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.011	0.6165	0.6165
Echinococcus granulosus	neuropeptide receptor	0.011	0.6165	0.6165
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0037	0.1142	0.1142
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Loa Loa (eye worm)	G-protein coupled receptor	0.011	0.6165	0.6165
Echinococcus granulosus	neuropeptide receptor A26	0.011	0.6165	0.6165
Echinococcus multilocularis	protein dispatched 1	0.0068	0.3279	0.3279
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0078	0.3935	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.011	0.6165	0.6165
Schistosoma mansoni	amine GPCR	0.011	0.6165	0.6165
Echinococcus granulosus	rhodopsin orphan GPCR	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Echinococcus granulosus	neuropeptide Y receptor	0.011	0.6165	0.6165
Onchocerca volvulus		0.011	0.6165	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.011	0.6165	0.6165
Echinococcus multilocularis	g protein coupled receptor	0.011	0.6165	0.6165
Brugia malayi	CHE-14 protein	0.0068	0.3279	0.3279
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0804	0.0804
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0021	0	0.5
Brugia malayi	G protein-coupled receptor	0.011	0.6165	0.6165
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0021	0	0.5
Brugia malayi	Tachykinin-like peptides receptor 99D	0.011	0.6165	0.6165
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.011	0.6165	0.6165
Schistosoma mansoni	neuropeptide F-like receptor	0.011	0.6165	0.6165
Echinococcus multilocularis	serotonin receptor	0.011	0.6165	0.6165
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.0165	1	1
Echinococcus multilocularis	neuropeptide receptor	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Schistosoma mansoni	hypothetical protein	0.011	0.6165	0.6165
Echinococcus granulosus	rhodopsin orphan GPCR	0.011	0.6165	0.6165
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.011	0.6165	0.6165
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0021	0	0.5
Brugia malayi	Dopamine receptor protein 2	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0165	1	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.011	0.6165	0.6165
Brugia malayi	hypothetical protein	0.011	0.6165	0.6165
Loa Loa (eye worm)	G-protein coupled receptor	0.011	0.6165	0.6165
Brugia malayi	Serotonin receptor	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.011	0.6165	0.6165
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.011	0.6165	0.6165
Trypanosoma cruzi	cytochrome P450, putative	0.0031	0.0705	0.0705
Onchocerca volvulus		0.011	0.6165	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Schistosoma mansoni	hypothetical protein	0.011	0.6165	0.6165
Echinococcus granulosus	Niemann Pick C1 protein	0.0068	0.3279	0.3279
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0068	0.3279	0.3279
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Schistosoma mansoni	hypothetical protein	0.011	0.6165	0.6165
Echinococcus granulosus	neuropeptide FF receptor 2	0.011	0.6165	0.6165
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.011	0.6165	0.6165
Schistosoma mansoni	biogenic amine (5HT) receptor	0.011	0.6165	0.6165
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0021	0	0.5
Echinococcus granulosus	dro:myosuppressin receptor	0.011	0.6165	0.6165
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.011	0.6165	0.5
Echinococcus granulosus	7tm_1 domain containing protein	0.011	0.6165	0.6165
Brugia malayi	hypothetical protein	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Brugia malayi	hypothetical protein	0.011	0.6165	0.6165
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.011	0.6165	0.6165
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0078	0.3935	1
Echinococcus granulosus	tm gpcr rhodopsin	0.011	0.6165	0.6165
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.011	0.6165	0.6165
Schistosoma mansoni	neuropeptide receptor	0.011	0.6165	0.6165
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0021	0	0.5
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0078	0.3935	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.011	0.6165	0.6165
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.011	0.6165	0.6165
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0021	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Echinococcus granulosus	neuropeptide receptor	0.011	0.6165	0.6165
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0021	0	0.5
Echinococcus multilocularis	fmrfamide receptor	0.011	0.6165	0.6165
Onchocerca volvulus		0.011	0.6165	0.5
Echinococcus multilocularis	serotonin receptor	0.011	0.6165	0.6165
Echinococcus granulosus	rhodopsin orphan GPCR	0.011	0.6165	0.6165
Echinococcus granulosus	rhodopsin orphan GPCR	0.011	0.6165	0.6165
Brugia malayi	Cytochrome P450 family protein	0.0031	0.0705	0.0705
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0037	0.1142	0.1142
Onchocerca volvulus		0.011	0.6165	0.5
Echinococcus granulosus	g protein coupled receptor	0.011	0.6165	0.6165
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0021	0	0.5
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.011	0.6165	0.6165
Echinococcus multilocularis	rhodopsin orphan GPCR	0.011	0.6165	0.6165
Echinococcus granulosus	G protein coupled receptor 139	0.011	0.6165	0.6165
Brugia malayi	hypothetical protein	0.011	0.6165	0.6165
Echinococcus multilocularis	rhodopsin orphan GPCR	0.011	0.6165	0.6165
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.011	0.6165	0.6165
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.011	0.6165	0.6165
Echinococcus multilocularis	G-protein coupled receptor, putative	0.011	0.6165	0.6165
Echinococcus multilocularis	neuropeptide Y receptor	0.011	0.6165	0.6165
Brugia malayi	G-protein coupled receptor	0.011	0.6165	0.6165
Echinococcus granulosus	neuropeptide s receptor	0.011	0.6165	0.6165
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0021	0	0.5
Brugia malayi	hypothetical protein	0.011	0.6165	0.6165
Schistosoma mansoni	amine GPCR	0.011	0.6165	0.6165
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.011	0.6165	0.6165
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.011	0.6165	0.6165
Schistosoma mansoni	histamine h1 receptor	0.011	0.6165	0.6165
Echinococcus granulosus	neuropeptides capa receptor	0.011	0.6165	0.6165
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0068	0.3279	0.3279
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.011	0.6165	0.6165
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.011	0.6165	0.6165
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0165	1	1
Brugia malayi	Dopamine receptor protein 1	0.011	0.6165	0.6165
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.011	0.6165	0.6165
Echinococcus granulosus	alpha 1A adrenergic receptor	0.011	0.6165	0.6165
Schistosoma mansoni	opsin-like receptor	0.011	0.6165	0.6165
Echinococcus granulosus	biogenic amine 5HT receptor	0.011	0.6165	0.6165
Echinococcus multilocularis	neuropeptide Y receptor	0.011	0.6165	0.6165
Brugia malayi	hypothetical protein	0.011	0.6165	0.6165
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.1378	0.1378
Echinococcus granulosus	g protein coupled receptor	0.011	0.6165	0.6165
Echinococcus multilocularis	somatostatin receptor	0.011	0.6165	0.6165
Brugia malayi	larval opioid receptor	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.0165	1	1
Echinococcus granulosus	somatostatin receptor	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.0068	0.3279	0.3279
Echinococcus multilocularis	neuropeptides capa receptor	0.011	0.6165	0.6165
Trichomonas vaginalis	conserved hypothetical protein	0.0068	0.3279	0.7784
Schistosoma mansoni	neuropeptide receptor	0.011	0.6165	0.6165
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.011	0.6165	0.6165
Echinococcus multilocularis	G protein coupled receptor 139	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Brugia malayi	hypothetical protein	0.011	0.6165	0.6165
Onchocerca volvulus		0.011	0.6165	0.5
Schistosoma mansoni	adenoreceptor	0.011	0.6165	0.6165
Echinococcus multilocularis	dro:myosuppressin receptor	0.011	0.6165	0.6165
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.011	0.6165	0.6165
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0021	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.011	0.6165	0.6165
Echinococcus granulosus	sterol regulatory element binding protein	0.0068	0.3279	0.3279
Brugia malayi	Melatonin receptor type 1A	0.011	0.6165	0.6165
Echinococcus granulosus	neuropeptide Y receptor	0.011	0.6165	0.6165
Echinococcus multilocularis	neuropeptides capa receptor	0.011	0.6165	0.6165
Schistosoma mansoni	neuropeptide f receptor 76f	0.011	0.6165	0.6165
Brugia malayi	follicle stimulating hormone receptor	0.011	0.6165	0.6165
Schistosoma mansoni	neuropeptide receptor	0.011	0.6165	0.6165
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.011	0.6165	0.6165
Onchocerca volvulus		0.011	0.6165	0.5
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Echinococcus granulosus	tm gpcr rhodopsin	0.011	0.6165	0.6165
Echinococcus multilocularis	neuropeptide receptor	0.011	0.6165	0.6165
Loa Loa (eye worm)	CYP4Cod1	0.0031	0.0705	0.0705
Loa Loa (eye worm)	neuropeptide F receptor	0.011	0.6165	0.6165
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.011	0.6165	0.6165
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.011	0.6165	0.6165
Echinococcus granulosus	fmrfamide receptor	0.011	0.6165	0.6165
Echinococcus multilocularis	rhodopsin orphan GPCR	0.011	0.6165	0.6165
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0021	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.011	0.6165	0.6165
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.0165	1	1
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Onchocerca volvulus		0.011	0.6165	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.011	0.6165	0.6165
Echinococcus granulosus	peptide allatostatin:somatostatin	0.011	0.6165	0.6165
Echinococcus multilocularis	orexin receptor type 2	0.011	0.6165	0.6165
Schistosoma mansoni	opsin-like receptor	0.011	0.6165	0.6165
Mycobacterium leprae	putative cytochrome p450	0.0021	0	0.5
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.011	0.6165	0.6165
Loa Loa (eye worm)	cytochrome P450 family protein	0.0065	0.3071	0.3071
Loa Loa (eye worm)	neuropeptide F receptor	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.011	0.6165	0.6165
Brugia malayi	Cytochrome P450 family protein	0.0031	0.0705	0.0705
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Echinococcus multilocularis	neuropeptide FF receptor 2	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Schistosoma mansoni	patched 1	0.0068	0.3279	0.3279
Echinococcus multilocularis	rhodopsin orphan GPCR	0.011	0.6165	0.6165
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.011	0.6165	0.6165
Echinococcus multilocularis	Niemann Pick C1 protein	0.0068	0.3279	0.3279
Echinococcus multilocularis	protein patched	0.0068	0.3279	0.3279
Echinococcus multilocularis	neuropeptide receptor A26	0.011	0.6165	0.6165
Schistosoma mansoni	amine GPCR	0.011	0.6165	0.6165
Onchocerca volvulus		0.011	0.6165	0.5
Echinococcus granulosus	sex peptide receptor	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Onchocerca volvulus	Neuropeptide F receptor homolog	0.011	0.6165	0.5
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Schistosoma mansoni	biogenic amine receptor	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.0165	1	1
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Schistosoma mansoni	alpha-1 adrenergic receptor	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Schistosoma mansoni	biogenic amine receptor	0.011	0.6165	0.6165
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.011	0.6165	0.6165
Schistosoma mansoni	hypothetical protein	0.011	0.6165	0.6165
Schistosoma mansoni	amine GPCR	0.011	0.6165	0.6165
Brugia malayi	AKH receptor	0.011	0.6165	0.6165
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0037	0.1142	0.1142
Brugia malayi	hypothetical protein	0.011	0.6165	0.6165
Echinococcus granulosus	tm gpcr rhodopsin	0.011	0.6165	0.6165
Brugia malayi	GnHR receptor homolog	0.011	0.6165	0.6165
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.0165	1	1
Brugia malayi	G-protein coupled receptor	0.011	0.6165	0.6165
Echinococcus multilocularis	rhodopsin orphan GPCR	0.011	0.6165	0.6165
Brugia malayi	hypothetical protein	0.011	0.6165	0.6165
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0021	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0021	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Brugia malayi	Serotonin receptor	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.011	0.6165	0.6165
Schistosoma mansoni	amine GPCR	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.011	0.6165	0.6165
Brugia malayi	putative neuropeptide receptor NPR1	0.011	0.6165	0.6165
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.011	0.6165	0.6165
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.011	0.6165	0.6165
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.1378	0.1378
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0021	0	0.5
Onchocerca volvulus		0.011	0.6165	0.5
Onchocerca volvulus		0.011	0.6165	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.011	0.6165	0.6165
Brugia malayi	Cytochrome P450 family protein	0.0065	0.3071	0.3071
Echinococcus granulosus	g-protein coupled receptor	0.011	0.6165	0.6165
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.011	0.6165	0.6165
Brugia malayi	ORL1-like opioid receptor	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Loa Loa (eye worm)	cytochrome P450 family protein	0.0031	0.0705	0.0705
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.011	0.6165	0.6165
Loa Loa (eye worm)	TYRA-2 protein	0.011	0.6165	0.6165
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.011	0.6165	0.6165
Onchocerca volvulus		0.011	0.6165	0.5
Mycobacterium leprae	Conserved hypothetical protein	0.0021	0	0.5
Echinococcus granulosus	g protein coupled receptor	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.011	0.6165	0.6165
Echinococcus multilocularis	fmrfamide receptor	0.011	0.6165	0.6165
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.0165	1	1
Brugia malayi	Dopamine receptor	0.011	0.6165	0.6165
Schistosoma mansoni	biogenic amine receptor	0.011	0.6165	0.6165
Leishmania major	cytochrome p450-like protein	0.0031	0.0705	0.0705
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.011	0.6165	0.6165
Echinococcus multilocularis	g protein coupled receptor	0.011	0.6165	0.6165
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0037	0.1142	0.1142
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.011	0.6165	0.6165
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0021	0	0.5
Onchocerca volvulus		0.011	0.6165	0.5
Brugia malayi	putative neuropeptide receptor	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Schistosoma mansoni	myosin xvIII	0.011	0.6165	0.6165
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.011	0.6165	0.6165
Brugia malayi	RE15519p	0.011	0.6165	0.6165
Schistosoma mansoni	neuropeptide receptor	0.011	0.6165	0.6165
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.011	0.6165	0.6165
Echinococcus granulosus	serotonin receptor	0.011	0.6165	0.6165
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0078	0.3935	1
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0021	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Trypanosoma brucei	cytochrome P450, putative	0.0031	0.0705	0.0705
Loa Loa (eye worm)	hypothetical protein	0.011	0.6165	0.6165
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.011	0.6165	0.6165
Schistosoma mansoni	neuropeptide F-like receptor	0.011	0.6165	0.6165
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0021	0	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.011	0.6165	0.6165
Onchocerca volvulus		0.011	0.6165	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 0.22 MPK	The compound was tested invivo for inhibition of Cholesterol Biosynthesis from [14C]- acetate in rat after intravenous administration.	ChEMBL.	1895299
ED50 (functional)	= 21.4 MPK	The compound was tested in vivo for inhibition of Cholesterol Biosynthesis from [14C]- acetate in rat after peroral administration.	ChEMBL.	1895299
I 50 (functional)	= 77 nM	The compound was tested for inhibition of Cholesterol synthesis from [14C]- Acetate in hepatocytes of rats.	ChEMBL.	1895299
I 50 (functional)	= 2000 nM	The compound was tested for inhibition of Cholesterol synthesis from [14C]- Acetate in human skin fibroblasts	ChEMBL.	1895299
I50 (binding)	= 1.9 nM	In vitro for inhibition of rat HMG-CoA reductase.	ChEMBL.	1895299
IC50 (binding)	= 1.9 nM	In vitro for inhibition of rat HMG-CoA reductase.	ChEMBL.	1895299
IC50 (functional)	= 2000 nM	The compound was tested for inhibition of Cholesterol synthesis from [14C]- Acetate in human skin fibroblasts	ChEMBL.	1895299
Selectivity (functional)	= 26	It is the ratio of I50 fibroblasts to that of I50 hepatocytes.	ChEMBL.	1895299

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	1895299

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: CHEMBL94737

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 158022