TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 556.572 | Formula: C32H31F2NaO5
H donors: 2 H acceptors: 4 LogP: 7.11 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: OC(C[C@H](CC(=O)[O-])O)COc1c(cc2c(c1C(C)C)cccc2)C(c1ccc(cc1)F)c1ccc(cc1)F.[Na+]
InChi: 1S/C32H32F2O5.Na/c1-19(2)30-27-6-4-3-5-22(27)15-28(32(30)39-18-26(36)16-25(35)17-29(37)38)31(20-7-11-23(33)12-8-20)21-9-13-24(34)14-10-21;/h3-15,19,25-26,31,35-36H,16-18H2,1-2H3,(H,37,38);/q;+1/p-1/t25-,26?;/m1./s1
InChiKey: XACMVNVZYXZPQD-FJGRWCOESA-M

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Homo sapiens	3-hydroxy-3-methylglutaryl-CoA reductase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
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 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
Trypanosoma brucei gambiense	3-hydroxy-3-methylglutaryl-CoA reductase, 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
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
Leishmania infantum	3-hydroxy-3-methylglutaryl-CoA reductase, putative	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
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0072	0.0466
Echinococcus granulosus	chromobox protein 1	0.0071	0.0265	0.0256
Schistosoma mansoni	chromobox protein	0.0071	0.0265	0.0256
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0038	0.0082	0.0073
Echinococcus granulosus	Niemann Pick C1 protein	0.0279	0.1445	0.1437
Echinococcus multilocularis	endoplasmin	0.0026	0.0013	0.0003
Entamoeba histolytica	hypothetical protein	0.0037	0.0071	0.0071
Leishmania major	hypothetical protein, unknown function	0.0026	0.0009	0.0009
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0038	0.0082	0.0073
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0228	0.0228
Echinococcus multilocularis	muscleblind protein	0.0152	0.0724	0.0715
Trypanosoma brucei	heat shock protein 90, putative	0.0033	0.0051	0.0042
Trichomonas vaginalis	heat shock protein, putative	0.0026	0.0013	0.0025
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0026	0.0013	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0179	0.0878	0.0878
Onchocerca volvulus		0.0026	0.0009	0.0009
Schistosoma mansoni	voltage-gated potassium channel	0.0212	0.1068	0.1059
Entamoeba histolytica	hypothetical protein	0.0037	0.0071	0.0071
Schistosoma mansoni	hypothetical protein	0.0172	0.0839	0.0831
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0033	0.0051	0.0567
Loa Loa (eye worm)	hypothetical protein	0.01	0.043	0.043
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0023	0.0101
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0009	0.0052
Mycobacterium ulcerans	transcriptional regulatory protein	0.0026	0.0009	0.0052
Leishmania major	alpha glucosidase II subunit, putative	0.0037	0.0072	0.0072
Echinococcus granulosus	microtubule associated protein 2	0.0701	0.3837	0.3832
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0072	0.0466
Echinococcus granulosus	neuropeptide receptor A26	0.0477	0.2566	0.2559
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0724	0.0724
Leishmania major	regulatory subunit of protein kinase a-like protein	0.0026	0.0009	0.0009
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0155	0.0742	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0026	0.0013	0.0047
Leishmania major	heat shock protein 83-1	0.0033	0.0051	0.0051
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0026	0.0009	0.7272
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0037	0.0072	0.0466
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0105	0.0718
Loa Loa (eye worm)	hypothetical protein	0.0569	0.3086	0.3086
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0056	0.0183	0.0174
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0038	0.0082	0.0073
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0026	0.0013	0.0013
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0038	0.0082	0.0073
Onchocerca volvulus		0.1122	0.6223	0.6223
Brugia malayi	Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog	0.0026	0.0009	0.0009
Leishmania major	heat shock protein 83-1	0.0033	0.0051	0.0051
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0151	0.0151
Echinococcus multilocularis	heat shock protein 90	0.0033	0.0051	0.0042
Leishmania major	heat shock protein 83-1	0.0033	0.0051	0.0051
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0228	0.0228
Mycobacterium ulcerans	regulatory protein	0.0026	0.0009	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.004
Leishmania major	protein kinase A regulatory subunit, putative	0.0026	0.0009	0.0009
Echinococcus granulosus	Protein patched homolog 1	0.0179	0.0878	0.087
Trypanosoma cruzi	heat shock protein 85, putative	0.0033	0.0051	0.0042
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.033	0.1737	0.1729
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0037	0.0072	0.0072
Trypanosoma cruzi	hexokinase, putative	0.1788	1	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0038	0.0082	0.0073
Leishmania major	protein kinase, putative	0.0026	0.0009	0.0009
Entamoeba histolytica	hypothetical protein	0.0037	0.0071	0.0071
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0166	0.0802	0.0802
Trichomonas vaginalis	heat shock protein, putative	0.0026	0.0013	0.0025
Mycobacterium ulcerans	heat shock protein 90	0.0026	0.0013	0.0072
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.033	0.1737	0.1729
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0166	0.0802	0.0802
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0071	0.0062
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0051	0.0042
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0056	0.0183	0.0174
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0262	0.1351	0.1351
Brugia malayi	hexokinase type II	0.0569	0.3086	0.3086
Toxoplasma gondii	heat shock protein HSP90	0.0033	0.0051	0.0042
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0051	0.0042
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0151	0.0151
Leishmania major	hexokinase, putative	0.1788	1	1
Leishmania major	heat shock protein 83-1	0.0033	0.0051	0.0051
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.033	0.1737	1
Echinococcus granulosus	expressed conserved protein	0.0094	0.0396	0.0387
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0228	0.0219
Loa Loa (eye worm)	hexokinase	0.0553	0.3	0.3
Echinococcus multilocularis	hexokinase type 2	0.1788	1	1
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0038	0.0082	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0183	0.0183
Echinococcus granulosus	hexokinase	0.1788	1	1
Loa Loa (eye worm)	hexokinase	0.1788	1	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0038	0.0082	0.0541
Mycobacterium ulcerans	transmembrane transport protein	0.0026	0.0009	0.0052
Schistosoma mansoni	60S ribosomal protein L21	0.0031	0.0037	0.0028
Schistosoma mansoni	hypothetical protein	0.0037	0.0071	0.0062
Schistosoma mansoni	hypothetical protein	0.0041	0.0098	0.0089
Mycobacterium leprae	Conserved hypothetical protein	0.0026	0.0009	0.7272
Schistosoma mansoni	heat shock protein	0.0033	0.0051	0.0042
Plasmodium vivax	endoplasmin, putative	0.0033	0.0051	0.0042
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.004	0.0088	0.0088
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0228	0.0219
Loa Loa (eye worm)	hexokinase	0.1788	1	1
Brugia malayi	Egg laying defective protein 4	0.0026	0.0009	0.0009
Onchocerca volvulus	Glucosylceramidase homolog	0.0172	0.0839	0.0839
Leishmania major	hypothetical protein, conserved	0.0026	0.0009	0.0009
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0228	0.0219
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0228	0.0219
Echinococcus granulosus	hyperpolarization activated cyclic	0.0038	0.0082	0.0073
Onchocerca volvulus		0.0026	0.0009	0.0009
Leishmania major	heat shock protein 83-1	0.0033	0.0051	0.0051
Leishmania major	heat shock protein 83-1	0.0033	0.0051	0.0051
Echinococcus granulosus	tm gpcr rhodopsin	0.0516	0.2786	0.2779
Brugia malayi	Hexokinase family protein	0.1788	1	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0195	0.0966	0.0958
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.0839	0.6188
Chlamydia trachomatis	cAMP-dependent protein kinase regulatory subunit	0.0026	0.0009	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0516	0.2786	0.2779
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.1351	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0072	0.0466
Schistosoma mansoni	hypothetical protein	0.0035	0.006	0.0051
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0037	0.0072	0.0466
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.033	0.1737	0.1729
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0127	0.0118
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.033	0.1737	0.1729
Onchocerca volvulus		0.0096	0.0406	0.0406
Echinococcus granulosus	heat shock protein	0.0033	0.0051	0.0042
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0182	0.0894	0.6594
Echinococcus multilocularis	muscleblind protein 1	0.0152	0.0724	0.0715
Trypanosoma brucei	heat shock protein 90, putative	0.0033	0.0051	0.0042
Schistosoma mansoni	endoplasmin	0.0033	0.0051	0.0042
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0009	0.0052
Schistosoma mansoni	patched 1	0.0179	0.0878	0.087
Brugia malayi	Niemann-Pick C1 protein precursor	0.01	0.043	0.043
Loa Loa (eye worm)	hypothetical protein	0.0169	0.0821	0.0821
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0038	0.0082	0.0082
Echinococcus granulosus	chromobox protein 1	0.0071	0.0265	0.0256
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0037	0.0072	0.0466
Echinococcus multilocularis	geminin	0.0172	0.0839	0.0831
Echinococcus granulosus	heat shock protein 90	0.0026	0.0013	0.0003
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0072	0.0466
Toxoplasma gondii	hexokinase	0.1788	1	1
Onchocerca volvulus		0.0031	0.004	0.004
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0182	0.0894	0.6594
Leishmania major	protein kinase, putative	0.0026	0.0009	0.0009
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0262	0.1351	0.1351
Echinococcus granulosus	neuropeptide s receptor	0.0477	0.2566	0.2559
Echinococcus multilocularis	chromobox protein 1	0.0071	0.0265	0.0256
Echinococcus granulosus	hyperpolarization activated cyclic	0.0038	0.0082	0.0073
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0088	0.0591
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.033	0.1737	0.1729
Echinococcus multilocularis	hexokinase	0.1788	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0072	0.0063
Brugia malayi	CHE-14 protein	0.0179	0.0878	0.0878
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0038	0.0082	0.0082
Schistosoma mansoni	microtubule-associated protein tau	0.0701	0.3837	0.3832
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0026	0.0009	0.7272
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0238	0.121	0.1202
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0051	0.0042
Loa Loa (eye worm)	endoplasmin	0.0033	0.0051	0.0051
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0051	0.0042
Schistosoma mansoni	alpha-glucosidase	0.0142	0.0671	0.0663
Onchocerca volvulus		0.1788	1	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0166	0.0802	0.0793
Brugia malayi	Heterochromatin protein 1	0.0071	0.0265	0.0265
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0038	0.0082	0.0073
Loa Loa (eye worm)	hexokinase type II	0.1788	1	1
Giardia lamblia	Grp94/Hsp90	0.0026	0.0013	0.0047
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0037	0.0072	0.0063
Trypanosoma brucei	Heat shock protein 83, putative	0.0033	0.0051	0.0042
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0228	0.0219
Leishmania major	heat shock protein 83-1	0.0033	0.0051	0.0051
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0038	0.0082	0.0073
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0023	0.0101
Trypanosoma cruzi	heat shock protein 85, putative	0.0026	0.0013	0.0003
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0071	0.0062
Trichomonas vaginalis	heat shock protein, putative	0.0026	0.0013	0.0025
Onchocerca volvulus		0.1788	1	1
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.0265	0.1905
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.1351	1
Echinococcus granulosus	heat shock protein 90	0.0033	0.0051	0.0042
Schistosoma mansoni	voltage-gated potassium channel	0.0212	0.1068	0.1059
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0155	0.0742	0.5465
Trypanosoma cruzi	heat shock protein 85, putative	0.0033	0.0051	0.0042
Schistosoma mansoni	voltage-gated potassium channel	0.0031	0.0037	0.0028
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0127	0.0118
Brugia malayi	Muscleblind-like protein	0.0152	0.0724	0.0724
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0127	0.0118
Onchocerca volvulus	Hexokinase homolog	0.1122	0.6223	0.6223
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0026	0.0013	1
Leishmania major	heat shock protein 83-1	0.0033	0.0051	0.0051
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0072	0.0063
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0105	0.0105
Schistosoma mansoni	hypothetical protein	0.0041	0.0098	0.0089
Leishmania major	hexokinase, putative	0.1788	1	1
Leishmania major	heat shock protein 83-1	0.0033	0.0051	0.0051
Leishmania major	heat shock protein 83-1	0.0033	0.0051	0.0051
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0038	0.0082	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0724	0.0724
Trypanosoma brucei	hexokinase	0.1788	1	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0071	0.0071
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0026	0.0013	0.0003
Plasmodium falciparum	hexokinase	0.1788	1	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.006
Echinococcus multilocularis	heat shock protein 90	0.0026	0.0013	0.0003
Loa Loa (eye worm)	hypothetical protein	0.004	0.0088	0.0088
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0166	0.0802	0.0793
Treponema pallidum	heat shock protein 90	0.0026	0.0013	0.0003
Schistosoma mansoni	eyes absent homolog	0.009	0.0371	0.0362
Schistosoma mansoni	endoplasmin	0.0033	0.0051	0.0042
Echinococcus multilocularis	chromobox protein 1	0.0071	0.0265	0.0256
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.006	0.006
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0051	0.0042
Brugia malayi	hypothetical protein	0.0037	0.0071	0.0071
Trypanosoma brucei	glucosidase, putative	0.0037	0.0072	0.0063
Trypanosoma cruzi	heat shock protein 90, putative	0.0026	0.0013	0.0003
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0051	0.0042
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0166	0.0802	0.0793
Schistosoma mansoni	alpha-glucosidase	0.0142	0.0671	0.0663
Loa Loa (eye worm)	hexokinase	0.1122	0.6223	0.6223
Loa Loa (eye worm)	hypothetical protein	0.009	0.0371	0.0371
Entamoeba histolytica	heat shock protein 90, putative	0.0033	0.0051	0.0051
Schistosoma mansoni	hexokinase	0.1788	1	1
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0038	0.0082	0.0073
Leishmania major	heat shock protein 83-1	0.0033	0.0051	0.0051
Echinococcus multilocularis	voltage gated potassium channel	0.0056	0.0183	0.0174
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0228	0.0228
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.0839	0.6188
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0155	0.0742	0.5465
Schistosoma mansoni	hypothetical protein	0.0172	0.0839	0.0831
Echinococcus granulosus	endoplasmin	0.0026	0.0013	0.0003
Schistosoma mansoni	heat shock protein	0.0033	0.0051	0.0042
Leishmania major	cyclic nucleotide-binding protein-like protein	0.0026	0.0009	0.0009
Echinococcus granulosus	hexokinase	0.1788	1	1
Leishmania major	hypothetical protein, conserved	0.0026	0.0009	0.0009
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0088	0.0591
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0038	0.0082	0.0073
Schistosoma mansoni	chromobox protein	0.0071	0.0265	0.0256
Echinococcus granulosus	hexokinase	0.1788	1	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0037	0.0072	0.0466
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0195	0.0966	0.0966
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0038	0.0082	0.0541
Loa Loa (eye worm)	hypothetical protein	0.033	0.1737	0.1737
Trypanosoma brucei	hexokinase, putative	0.1788	1	1
Echinococcus granulosus	voltage gated potassium channel	0.0056	0.0183	0.0174
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0072	0.0466
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0195	0.0966	0.0958
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0038	0.0082	0.0073
Schistosoma mansoni	voltage-gated potassium channel	0.0056	0.0183	0.0174
Echinococcus multilocularis	hexokinase	0.1788	1	1
Plasmodium vivax	hexokinase, putative	0.1788	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.0839	0.6188
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0127	0.0127
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.1351	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0127	0.0118
Brugia malayi	hypothetical protein	0.009	0.0371	0.0371
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0127	0.0118
Entamoeba histolytica	hexokinase 1	0.1788	1	1
Mycobacterium tuberculosis	Conserved protein	0.0026	0.0009	0.7272
Brugia malayi	chromobox protein homolog 3	0.004	0.0088	0.0088
Trichomonas vaginalis	heat shock protein, putative	0.0033	0.0051	0.031
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0162	0.0162
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0105	0.0718
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0127	0.0118
Echinococcus multilocularis	expressed conserved protein	0.0094	0.0396	0.0387
Loa Loa (eye worm)	heat shock protein 90	0.0033	0.0051	0.0051
Trichomonas vaginalis	conserved hypothetical protein	0.0179	0.0878	0.6476
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.1351	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.0892	0.658
Leishmania major	heat shock protein 83-1	0.0033	0.0051	0.0051
Plasmodium falciparum	heat shock protein 90	0.0033	0.0051	0.0042
Trypanosoma brucei	hexokinase	0.1788	1	1
Brugia malayi	Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative	0.0026	0.0009	0.0009
Echinococcus granulosus	Niemann Pick C1 protein	0.01	0.043	0.0422
Loa Loa (eye worm)	hypothetical protein	0.009	0.0371	0.0371
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.01	0.043	0.043
Brugia malayi	Hexokinase family protein	0.1122	0.6223	0.6223
Echinococcus multilocularis	microtubule associated protein 2	0.0701	0.3837	0.3832
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0072	0.0072
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0155	0.0742	0.5465
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0071	0.0062
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.0892	0.658
Loa Loa (eye worm)	AGC/PKG protein kinase	0.0026	0.0009	0.0009
Brugia malayi	cAMP-dependent protein kinase regulatory chain, putative	0.0026	0.0009	0.0009
Plasmodium vivax	heat shock protein 86, putative	0.0033	0.0051	0.0042
Leishmania major	heat shock protein 83-1	0.0033	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0009	0.0009
Mycobacterium tuberculosis	Probable conserved transmembrane transport protein	0.0026	0.0009	0.7272
Loa Loa (eye worm)	hypothetical protein	0.122	0.6777	0.6777
Echinococcus multilocularis	Niemann Pick C1 protein	0.01	0.043	0.0422
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0051	0.0042
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	0.033	0.1737	0.1737
Mycobacterium tuberculosis	Probable glutamine-transport ATP-binding protein ABC transporter GlnQ	0.0026	0.0009	0.7272
Echinococcus multilocularis	hexokinase	0.1788	1	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0037	0.0072	0.0072
Mycobacterium tuberculosis	Probable transcriptional regulatory protein Cmr	0.0026	0.0009	0.7272
Echinococcus multilocularis	sterol regulatory element binding protein	0.0179	0.0878	0.087
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0072	0.0072
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0179	0.0878	0.0878
Echinococcus multilocularis	heat shock protein	0.0033	0.0051	0.0042
Leishmania major	heat shock protein 83-1	0.0033	0.0051	0.0051
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.0839	0.6188
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.1351	1
Brugia malayi	Hexokinase family protein	0.0553	0.3	0.3
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0228	0.0219
Echinococcus granulosus	sterol regulatory element binding protein	0.0179	0.0878	0.087
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.0839	0.6188
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0026	0.0009	0.0009
Brugia malayi	Endoplasmin precursor	0.0033	0.0051	0.0051
Schistosoma mansoni	voltage-gated potassium channel	0.0038	0.0082	0.0073
Trypanosoma cruzi	heat shock protein 85, putative	0.0033	0.0051	0.0042
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.0265	0.1905
Loa Loa (eye worm)	hypothetical protein	0.0569	0.3086	0.3086
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.0839	0.6188
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0051	0.0042
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0037	0.0072	0.0063
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0824	0.4533	0.4528
Schistosoma mansoni	voltage-gated potassium channel	0.0056	0.0183	0.0174
Toxoplasma gondii	heat shock protein 90, putative	0.0033	0.0051	0.0042
Trypanosoma cruzi	Heat shock protein 83, putative	0.0033	0.0051	0.0042
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.1351	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0026	0.0009	0.7272
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0127	0.0118
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0127	0.0127
Brugia malayi	TAR-binding protein	0.0064	0.0228	0.0228
Echinococcus multilocularis	protein dispatched 1	0.0185	0.0912	0.0904
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0151	0.0151
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0038	0.0082	0.0082
Trypanosoma cruzi	heat shock protein 90, putative	0.0033	0.0051	0.0042
Echinococcus granulosus	geminin	0.0172	0.0839	0.0831
Brugia malayi	RNA binding protein	0.0064	0.0228	0.0228
Echinococcus granulosus	neutral alpha glucosidase AB	0.0037	0.0072	0.0063
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.0839	0.6188
Echinococcus granulosus	hexokinase type 2	0.1788	1	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0098	0.0089
Loa Loa (eye worm)	heterochromatin protein 1	0.0071	0.0265	0.0265
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0009	0.0052
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0038	0.0082	0.0073
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0228	0.0228
Echinococcus multilocularis	neuropeptide s receptor	0.0477	0.2566	0.2559
Entamoeba histolytica	heat shock protein 90, putative	0.0033	0.0051	0.0051
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0056	0.0183	0.0183
Leishmania major	heat shock protein 83-1	0.0033	0.0051	0.0051
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.033	0.1737	0.1737
Entamoeba histolytica	hexokinase 2	0.1788	1	1
Onchocerca volvulus		0.1788	1	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0279	0.1445	0.1437
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0038	0.0082	0.0073
Schistosoma mansoni	hypothetical protein	0.0041	0.0098	0.0089
Treponema pallidum	hexokinase (hxk)	0.1788	1	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0195	0.0966	0.0966
Echinococcus multilocularis	protein patched	0.0179	0.0878	0.087
Brugia malayi	heat shock protein 90	0.0033	0.0051	0.0051
Brugia malayi	N-terminal motif family protein	0.0026	0.0009	0.0009
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0228	0.0219
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.033	0.1737	0.1729
Schistosoma mansoni	alpha glucosidase	0.0037	0.0072	0.0063
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0009	0.0052
Echinococcus granulosus	muscleblind protein	0.0152	0.0724	0.0715
Echinococcus multilocularis	neuropeptide receptor A26	0.0477	0.2566	0.2559
Leishmania major	heat shock protein 83-1	0.0033	0.0051	0.0051
Loa Loa (eye worm)	cAMP-dependent protein kinase regulatory subunit	0.0026	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0082	0.0082
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0026	0.0013	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0151	0.0151
Leishmania major	hypothetical protein, conserved	0.0026	0.0009	0.0009
Leishmania major	heat shock protein 83-1	0.0033	0.0051	0.0051
Trypanosoma cruzi	hexokinase, putative	0.1788	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 380 nM	In vitro inhibition of HMG-CoA reductase in solubilized rat liver.	ChEMBL.	1656041
IC50 (binding)	= 380 nM	In vitro inhibition of HMG-CoA reductase in solubilized rat liver.	ChEMBL.	1656041
IC50 (functional)	= 3500 nM	Inhibition of the incorporation of sodium [14C]-acetate into cholesterol in HEP G2 cells.	ChEMBL.	1656041
IC50 (functional)	= 3500 nM	Inhibition of the incorporation of sodium [14C]-acetate into cholesterol in HEP G2 cells.	ChEMBL.	1656041
Relative potency (functional)	= 2	Inhibition of HMG-CoA reductase compared to mevinolin.	ChEMBL.	1656041
Relative potency (binding)	= 2	Inhibition of HMG-CoA reductase compared to mevinolin.	ChEMBL.	1656041
Relative potency (binding)	= 2	Inhibition of HMG-CoA reductase compared to mevinolin.	ChEMBL.	1656041
Relative potency (functional)	= 2	Inhibition of HMG-CoA reductase compared to mevinolin.	ChEMBL.	1656041

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: CHEMBL317142

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 165347