TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 463.275 | Formula: C19H23Cl2F2NaO5
H donors: 2 H acceptors: 4 LogP: 5.23 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: OC(C[C@H](CC(=O)[O-])O)COc1c(Cl)cc(cc1C(C1CCCCC1)(F)F)Cl.[Na+]
InChi: 1S/C19H24Cl2F2O5.Na/c20-12-6-15(19(22,23)11-4-2-1-3-5-11)18(16(21)7-12)28-10-14(25)8-13(24)9-17(26)27;/h6-7,11,13-14,24-25H,1-5,8-10H2,(H,26,27);/q;+1/p-1/t13-,14?;/m1./s1
InChiKey: BXIJELHPJYEOIR-JRLNIEDVSA-M

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
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
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	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
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 braziliensis	3-hydroxy-3-methylglutaryl-CoA reductase, putative	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
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A 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	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
Candida albicans	hydroxymethylglutaryl-CoA reductase (ergosterol biosynthesis)	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
Trypanosoma congolense	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
Leishmania donovani	3-hydroxy-3-methylglutaryl-CoA reductase, putative	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 brucei gambiense	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
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	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

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
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0399	0.1143
Giardia lamblia	Sugar-proton symporter	0.0031	0.0201	0.1287
Toxoplasma gondii	HEAT repeat-containing protein	0.0031	0.0204	0.0309
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0115	0.0329
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0218	0.2253	0.4415
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0067	0.0597	0.0597
Brugia malayi	Major Facilitator Superfamily protein	0.0031	0.0201	0.0577
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0201	0.0894
Trypanosoma brucei	sugar transporter, putative	0.0031	0.0201	0.0577
Entamoeba histolytica	Ran family GTPase	0.0023	0.0115	0.1925
Echinococcus multilocularis	Niemann Pick C1 protein	0.0136	0.1357	0.2659
Echinococcus multilocularis	snurportin 1	0.033	0.3481	0.682
Trypanosoma brucei	glucose transporter, putative	0.0068	0.0606	0.1738
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0226	0.0443
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0226	0.0443
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0027	0.016	0.0458
Echinococcus multilocularis	General substrate transporter	0.0187	0.1918	0.3757
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0352	0.3724	0.3724
Plasmodium falciparum	protein kinase 7	0.0615	0.6612	0.6612
Leishmania major	hypothetical protein, conserved	0.0027	0.0162	0.0463
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0218	0.2253	0.4415
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0155	0.1565	0.6947
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0023	0.0115	0.0225
Toxoplasma gondii	sugar transporter ST2	0.0031	0.0201	0.0305
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0162	0.0162
Schistosoma mansoni	hypothetical protein	0.033	0.3481	0.9977
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0352	0.3724	0.3724
Schistosoma mansoni	glucose transport protein	0.0218	0.2253	0.6459
Echinococcus multilocularis	sterol regulatory element binding protein	0.0136	0.1357	0.2659
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0204	0.0204
Plasmodium vivax	hexose transporter	0.0218	0.2253	0.2253
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0037	0.0274	0.0786
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Brugia malayi	Sugar transporter family protein	0.0031	0.0201	0.0577
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0076	0.0701	0.106
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0065	0.0582	0.9752
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Echinococcus multilocularis	importin subunit beta 1	0.0031	0.0204	0.04
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0031	0.0201	0.0577
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0065	0.0582	0.1668
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0067	0.0597	0.0597
Echinococcus multilocularis	protein patched	0.0136	0.1357	0.2659
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.033	0.3489	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0104	0.1005	0.288
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1357	0.389
Trypanosoma brucei	glucose transporter, putative	0.0068	0.0606	0.1738
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0204	0.0586
Giardia lamblia	Prolyl-tRNA synthetase	0.0065	0.0582	0.3718
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.033	0.3489	0.6835
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0067	0.0597	0.0597
Echinococcus multilocularis	solute carrier family 22	0.0031	0.0201	0.0395
Trypanosoma cruzi	hexose transporter, putative	0.0037	0.027	0.0775
Echinococcus multilocularis	protein dispatched 1	0.0136	0.1357	0.2659
Brugia malayi	Cam kinase protein 1	0.0067	0.0597	0.1711
Trypanosoma brucei	glucose transporter 1E	0.0068	0.0606	0.1738
Entamoeba histolytica	protein kinase, putative	0.0067	0.0597	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0162	0.0463
Echinococcus granulosus	lysyl tRNA synthetase	0.0049	0.0399	0.0781
Echinococcus granulosus	importin subunit beta 1	0.0031	0.0204	0.04
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0031	0.0201	0.0395
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.033	0.3481	0.9977
Giardia lamblia	Hexose transporter	0.0031	0.0201	0.1287
Brugia malayi	major facilitator superfamily protein	0.0031	0.0201	0.0577
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0031	0.0201	0.6328
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.033	0.3489	1
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trichomonas vaginalis	CAMK family protein kinase	0.0067	0.0597	0.2648
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0065	0.0582	1
Echinococcus granulosus	geminin	0.0182	0.1856	0.3636
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0218	0.2253	0.4415
Echinococcus granulosus	neuropeptide s receptor	0.0478	0.5104	1
Trypanosoma brucei	glucose transporter 2A	0.0068	0.0606	0.1738
Trichomonas vaginalis	ran, putative	0.0023	0.0115	0.051
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0023	0.0115	0.0329
Plasmodium vivax	sugar transporter, putative	0.0031	0.0201	0.0201
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0049	0.0399	0.1143
Mycobacterium ulcerans	sugar transporter	0.0031	0.0201	0.0577
Leishmania major	myo-inositol/proton symporter (MIT)	0.0031	0.0201	0.0577
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0068	0.0606	0.1738
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0076	0.0701	0.2009
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0067	0.0597	0.1169
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0218	0.2253	0.4415
Brugia malayi	CHE-14 protein	0.0136	0.1357	0.389
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0068	0.0606	0.1738
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0068	0.0606	0.1738
Trichomonas vaginalis	glucose transporter, putative	0.0068	0.0606	0.269
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.033	0.3489	0.6835
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0023	0.0115	0.0329
Echinococcus granulosus	solute carrier family 22	0.0031	0.0201	0.0395
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0104	0.1005	0.288
Trypanosoma brucei	glucose transporter, putative	0.0068	0.0606	0.1738
Leishmania major	importin beta-1 subunit, putative	0.0025	0.014	0.0402
Leishmania major	glucose transporter, lmgt1	0.0068	0.0606	0.1738
Plasmodium falciparum	hexose transporter	0.0218	0.2253	0.2253
Trichomonas vaginalis	importin beta-1, putative	0.0025	0.014	0.0622
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0031	0.0201	0.6328
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0023	0.0115	0.0115
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0067	0.0597	0.0597
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0049	0.0399	0.1143
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0577
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0597	0.1711
Echinococcus granulosus	sterol regulatory element binding protein	0.0136	0.1357	0.2659
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0226	0.0648
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1005	0.288
Echinococcus multilocularis	solute carrier family 22	0.0031	0.0201	0.0395
Echinococcus granulosus	solute carrier family 22	0.0031	0.0201	0.0395
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0226	0.0443
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0037	0.0274	0.0537
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0067	0.0597	0.1169
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0218	0.2253	0.4415
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0577
Brugia malayi	hypothetical protein	0.0031	0.0201	0.0577
Brugia malayi	Major Facilitator Superfamily protein	0.0031	0.0201	0.0577
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0218	0.2253	0.4415
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0067	0.0597	0.1711
Schistosoma mansoni	glucose transporter	0.0031	0.0201	0.0577
Entamoeba histolytica	protein kinase, putative	0.0067	0.0597	1
Brugia malayi	Sugar transporter family protein	0.0031	0.0201	0.0577
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0162	0.0162
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0067	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0577
Schistosoma mansoni	sugar transporter	0.0031	0.0201	0.0577
Leishmania major	lysyl-tRNA synthetase, putative	0.0049	0.0399	0.1143
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0031	0.0201	0.0395
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0155	0.1565	0.6947
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0577
Echinococcus multilocularis	solute carrier family 22	0.0031	0.0201	0.0395
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0155	0.1565	0.6947
Plasmodium vivax	lysine--tRNA ligase, putative	0.0049	0.0399	0.0399
Schistosoma mansoni	sugar transporter	0.0031	0.0201	0.0577
Trypanosoma cruzi	sugar transporter, putative	0.0031	0.0201	0.0577
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0218	0.2253	0.4415
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.033	0.3489	1
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0115	0.0329
Schistosoma mansoni	hypothetical protein	0.0182	0.1856	0.5319
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0043	0.0333	0.1477
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0155	0.1565	1
Schistosoma mansoni	protein kinase	0.0067	0.0597	0.1711
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Toxoplasma gondii	sugar transporter ST1	0.0031	0.0201	0.0305
Onchocerca volvulus		0.0052	0.0432	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0162	0.0463
Schistosoma mansoni	hypothetical protein	0.0052	0.0432	0.1239
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0076	0.0701	0.2009
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0067	0.0597	0.1169
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0065	0.0582	0.114
Schistosoma mansoni	lysyl-tRNA synthetase	0.0049	0.0399	0.1143
Trypanosoma cruzi	hexose transporter, putative	0.0068	0.0606	0.1738
Trichomonas vaginalis	glucose transporter, putative	0.0068	0.0606	0.269
Brugia malayi	Major Facilitator Superfamily protein	0.0031	0.0201	0.0577
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0067	0.0597	0.0903
Trypanosoma cruzi	hexose transporter, putative	0.0068	0.0606	0.1738
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0067	0.0597	0.0597
Trichomonas vaginalis	myo-inositol transporter, putative	0.0031	0.0201	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0201	0.0894
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0031	0.0201	0.0577
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0068	0.0606	0.269
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0067	0.0597	0.1169
Schistosoma mansoni	protein kinase	0.0067	0.0597	0.1711
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0226	0.0443
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0068	0.0606	0.1738
Schistosoma mansoni	sugar transporter	0.0031	0.0201	0.0577
Echinococcus granulosus	Niemann Pick C1 protein	0.0136	0.1357	0.2659
Schistosoma mansoni	sugar transporter	0.0031	0.0201	0.0577
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0065	0.0582	0.114
Trichomonas vaginalis	glucose transporter, putative	0.0031	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0577
Plasmodium falciparum	lysine--tRNA ligase	0.0049	0.0399	0.0399
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0218	0.2253	0.4415
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0448	0.1283
Echinococcus multilocularis	solute carrier family 22	0.0031	0.0201	0.0395
Trypanosoma brucei	glucose transporter, putative	0.0068	0.0606	0.1738
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	0.033	0.3489	1
Plasmodium vivax	proline--tRNA ligase, putative	0.0076	0.0701	0.0701
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0068	0.0606	0.1738
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0041	0.0318	0.5469
Schistosoma mansoni	hypothetical protein	0.0033	0.0226	0.0648
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0582	0.1668
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0065	0.0582	0.1668
Loa Loa (eye worm)	sugar transporter	0.0031	0.0201	0.0577
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0067	0.0597	0.1711
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0065	0.0582	0.1668
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Schistosoma mansoni	hypothetical protein	0.0033	0.0226	0.0648
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0067	0.0597	0.1711
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0067	0.0597	0.0903
Brugia malayi	hypothetical protein	0.0017	0.0057	0.0163
Schistosoma mansoni	hypothetical protein	0.0033	0.0226	0.0648
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.033	0.3489	1
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Echinococcus granulosus	neuropeptide receptor A26	0.0478	0.5104	1
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0031	0.0201	0.0201
Trichomonas vaginalis	conserved hypothetical protein	0.0218	0.2253	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0104	0.1005	0.288
Trichomonas vaginalis	conserved hypothetical protein	0.0068	0.0606	0.269
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0041	0.0318	1
Echinococcus granulosus	solute carrier family 22	0.0031	0.0201	0.0395
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0065	0.0582	0.2583
Schistosoma mansoni	survival motor neuron protein	0.0052	0.0432	0.1239
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0201	0.0894
Brugia malayi	hypothetical protein	0.0253	0.2643	0.7575
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0352	0.3724	0.5632
Echinococcus multilocularis	lysyl tRNA synthetase	0.0049	0.0399	0.0781
Schistosoma mansoni	glucose transport protein	0.0218	0.2253	0.6459
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0204	0.0586
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0067	0.0597	0.1169
Echinococcus multilocularis	sodium channel protein	0.0037	0.0274	0.0537
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.014	0.0622
Toxoplasma gondii	protein kinase, putative	0.0615	0.6612	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0644	0.1847
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0162	0.0162
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0023	0.0115	0.0225
Echinococcus granulosus	synaptic vesicle 2 protein	0.0031	0.0201	0.0395
Giardia lamblia	Lysyl-tRNA synthetase	0.0049	0.0399	0.2547
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.0162	0.0245
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0076	0.0701	0.2009
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0067	0.0597	0.0597
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0031	0.0201	0.0577
Brugia malayi	RNA, U transporter 1	0.0088	0.0829	0.2375
Brugia malayi	lysyl-tRNA synthetase	0.0049	0.0399	0.1143
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0162	0.0463
Echinococcus multilocularis	neuropeptide receptor A26	0.0478	0.5104	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0577
Schistosoma mansoni	glucose transport protein	0.0218	0.2253	0.6459
Echinococcus multilocularis	geminin	0.0182	0.1856	0.3636
Brugia malayi	latrophilin 2 splice variant baaae	0.0071	0.0644	0.1847
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.033	0.3489	1
Trypanosoma cruzi	hexose transporter, putative	0.0031	0.0201	0.0577
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0023	0.0115	0.0734
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0065	0.0582	0.1668
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.014	0.0622
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0162	0.0463
Schistosoma mansoni	importin beta-1	0.0031	0.0204	0.0586
Leishmania major	hypothetical protein, conserved	0.0031	0.0201	0.0577
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0076	0.0701	0.2009
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0023	0.0119	0.034
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0067	0.0597	0.1169
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0067	0.0597	0.1169
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Schistosoma mansoni	patched 1	0.0136	0.1357	0.389
Loa Loa (eye worm)	sugar transporter	0.0218	0.2253	0.6459
Brugia malayi	hypothetical protein	0.0031	0.0201	0.0577
Schistosoma mansoni	hypothetical protein	0.0218	0.2253	0.6459
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0067	0.0597	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0049	0.0399	0.1143
Echinococcus granulosus	calcium dependent protein kinase	0.0063	0.0552	0.1081
Trichomonas vaginalis	sugar transporter, putative	0.0068	0.0606	0.269
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0023	0.0115	0.0174
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0031	0.0201	0.0577
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0031	0.0201	0.0577
Toxoplasma gondii	facilitative glucose transporter GT1	0.0218	0.2253	0.3408
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Brugia malayi	Sugar transporter family protein	0.0218	0.2253	0.6459
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0226	0.0648
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0924	1	1
Entamoeba histolytica	hypothetical protein	0.0049	0.0399	0.6679
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0031	0.0201	1
Loa Loa (eye worm)	hypothetical protein	0.033	0.3489	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0577
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0577
Echinococcus granulosus	Protein patched homolog 1	0.0136	0.1357	0.2659
Loa Loa (eye worm)	hypothetical protein	0.0253	0.2643	0.7575
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0226	0.0648
Toxoplasma gondii	transporter, major facilitator family protein	0.0031	0.0201	0.0305
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0031	0.0201	0.0395
Leishmania major	GTP-binding protein, putative	0.0023	0.0115	0.0329
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0031	0.0201	0.0577
Toxoplasma gondii	sugar transporter ST3	0.0031	0.0201	0.0305
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Entamoeba histolytica	hypothetical protein	0.0025	0.014	0.235
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.033	0.3489	1
Schistosoma mansoni	serine/threonine protein kinase	0.0067	0.0597	0.1711
Trypanosoma brucei	glucose transporter, putative	0.0068	0.0606	0.1738
Echinococcus multilocularis	calcium dependent protein kinase	0.0063	0.0552	0.1081
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0582	0.1668
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0201	0.0894
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0226	0.0648
Mycobacterium ulcerans	integral membrane transport protein	0.0031	0.0201	0.0577
Brugia malayi	hypothetical protein	0.0027	0.0162	0.0463
Schistosoma mansoni	ran	0.0023	0.0115	0.0329
Chlamydia trachomatis	proline--tRNA ligase	0.0023	0.0119	0.2978
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0577
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0067	0.0597	0.1711
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0023	0.0115	0.0329
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Echinococcus multilocularis	neuropeptide s receptor	0.0478	0.5104	1
Plasmodium falciparum	proline--tRNA ligase	0.0076	0.0701	0.0701
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0023	0.0115	0.0115
Trichomonas vaginalis	sugar transporter, putative	0.0068	0.0606	0.269
Plasmodium falciparum	importin beta, putative	0.0031	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0577
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0136	0.1357	0.389
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0052	0.0432	0.1239
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0076	0.0701	0.2009
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0577
Toxoplasma gondii	lysine-tRNA ligase	0.0049	0.0399	0.0603
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Echinococcus granulosus	snurportin 1	0.033	0.3481	0.682
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0068	0.0606	0.1738
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0577
Brugia malayi	major facilitator superfamily protein	0.0031	0.0201	0.0577
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0049	0.0399	0.6849
Trypanosoma brucei	glucose transporter, putative	0.0068	0.0606	0.1738
Trichomonas vaginalis	conserved hypothetical protein	0.0068	0.0606	0.269
Leishmania major	glucose transporter, lmgt2	0.0068	0.0606	0.1738
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0204	0.0586
Echinococcus granulosus	survival motor neuron protein 1	0.0253	0.2643	0.5178
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0577
Echinococcus granulosus	sodium channel protein	0.0037	0.0274	0.0537
Leishmania major	glucose transporter, lmgt3	0.0068	0.0606	0.1738
Schistosoma mansoni	ran	0.0023	0.0115	0.0329
Chlamydia trachomatis	lysine--tRNA ligase	0.0049	0.0399	1
Schistosoma mansoni	hypothetical protein	0.0071	0.0644	0.1847
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0049	0.0399	0.1143
Echinococcus granulosus	solute carrier family 22	0.0031	0.0201	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0577
Echinococcus multilocularis	survival motor neuron protein 1	0.0253	0.2643	0.5178
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0067	0.0597	0.0903
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0041	0.0318	1
Leishmania major	protein kinase, putative	0.0067	0.0597	0.1711
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0136	0.1357	0.389
Trypanosoma cruzi	glucose transporter, putative	0.0031	0.0201	0.0577
Schistosoma mansoni	hypothetical protein	0.0033	0.0226	0.0648
Brugia malayi	Importin beta-1 subunit	0.0031	0.0204	0.0586
Echinococcus granulosus	General substrate transporter	0.0187	0.1918	0.3757
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0049	0.0399	0.1769
Schistosoma mansoni	hypothetical protein	0.0182	0.1856	0.5319
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0067	0.0597	0.0597
Treponema pallidum	prolyl-tRNA synthetase	0.0023	0.0119	1
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0201	0.0894
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.014	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0201	0.0577
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0067	0.0597	0.1169
Echinococcus granulosus	GPCR family 2	0.0033	0.0226	0.0443
Trypanosoma cruzi	hexose transporter	0.0068	0.0606	0.1738
Trypanosoma cruzi	hexose transporter, putative	0.0068	0.0606	0.1738
Brugia malayi	hypothetical protein	0.0031	0.0201	0.0577
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0226	0.0443
Schistosoma mansoni	lysyl-tRNA synthetase	0.0049	0.0399	0.1143
Trichomonas vaginalis	sugar transport protein, putative	0.0031	0.0201	0.0894
Schistosoma mansoni	protein kinase	0.0067	0.0597	0.1711
Trichomonas vaginalis	conserved hypothetical protein	0.0136	0.1357	0.6023

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 85 nM	In vitro inhibition of HMG-CoA reductase in solubilized rat liver.	ChEMBL.	1656041
IC50 (binding)	= 85 nM	In vitro inhibition of HMG-CoA reductase in solubilized rat liver.	ChEMBL.	1656041
IC50 (functional)	= 2500 nM	Inhibition of the incorporation of sodium [14C]-acetate into cholesterol in HEP G2 cells.	ChEMBL.	1656041
IC50 (functional)	= 2500 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)	= 9	Potency of the compound relative to mevinolin was determined with respect to IC50. Mevinolin was assigned a value of 100	ChEMBL.	1656041
Relative potency (functional)	= 2	Inhibition of HMG-CoA reductase compared to mevinolin.	ChEMBL.	1656041
Relative potency (binding)	= 9	Potency of the compound relative to mevinolin was determined with respect to IC50. Mevinolin was assigned a value of 100	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: CHEMBL321713

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 165827