TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 462.469 | Formula: C24H26FN3NaO4
H donors: 2 H acceptors: 6 LogP: 3.76 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O[C@@H](C[C@H](/C=C/c1c(nn(c1c1ccc(cc1)F)c1ccccn1)C(C)C)O)CC(=O)[O-].[NaH+]
InChi: 1S/C24H26FN3O4.Na/c1-15(2)23-20(11-10-18(29)13-19(30)14-22(31)32)24(16-6-8-17(25)9-7-16)28(27-23)21-5-3-4-12-26-21;/h3-12,15,18-19,29-30H,13-14H2,1-2H3,(H,31,32);/q;+1/p-1/b11-10+;/t18?,19-;/m1./s1
InChiKey: PIABXITYZIUXBZ-MPCUGNEWSA-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
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Curated by TDR Targets	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania infantum	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania major	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Brugia malayi	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma japonicum	ko:K00560 thymidylate synthase [EC2.1.1.45], putative	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_127385	All targets in OG5_127385
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania braziliensis	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Loa Loa (eye worm)	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Candida albicans	Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C)	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium yoelii	thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Candida albicans	Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C)	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium berghei	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus multilocularis	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Onchocerca volvulus		Get druggable targets OG5_127385	All targets in OG5_127385
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus granulosus	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium ulcerans	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	Get druggable targets OG5_127385	All targets in OG5_127385
Cryptosporidium hominis	chain A, crystal structure of Dhfr	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Cryptosporidium parvum	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma brucei gambiense	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania mexicana	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium knowlesi	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania donovani	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385

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
Echinococcus multilocularis	Netrin receptor DCC	0.0317	0.1101	0.1101
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0317	0.1101	0.1101
Schistosoma mansoni	hypothetical protein	0.0317	0.1101	0.1101
Schistosoma mansoni	cell adhesion molecule	0.0317	0.1101	0.1101
Giardia lamblia	Hypothetical protein	0.135	0.5767	1
Schistosoma mansoni	protein tyrosine phosphatase	0.0317	0.1101	0.1101
Schistosoma mansoni	nephrin	0.0317	0.1101	0.1101
Schistosoma mansoni	tripartite motif protein trim9	0.0317	0.1101	0.1101
Onchocerca volvulus		0.0317	0.1101	0.0867
Onchocerca volvulus		0.0317	0.1101	0.0867
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.033	0.1163	0.0702
Schistosoma mansoni	factor for adipocyte differentiation	0.0317	0.1101	0.1101
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Onchocerca volvulus		0.0317	0.1101	0.0867
Onchocerca volvulus		0.0317	0.1101	0.0867
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.0976	0.4078	0.3769
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0183	0.0495	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0104	0.014	0.014
Schistosoma mansoni	titin	0.0317	0.1101	0.1101
Brugia malayi	myotactin form A	0.0317	0.1101	0.9465
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Echinococcus granulosus	EG95	0.0317	0.1101	0.1101
Brugia malayi	Lethal protein 805	0.0317	0.1101	0.9465
Loa Loa (eye worm)	hypothetical protein	0.1311	0.5592	0.5592
Onchocerca volvulus		0.0317	0.1101	0.0867
Loa Loa (eye worm)	myotactin form A	0.0317	0.1101	0.1101
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0183	0.0495	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0104	0.014	0.014
Echinococcus multilocularis	protein patched	0.0136	0.0285	0.0285
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0317	0.1101	0.1101
Schistosoma mansoni	glutaminase	0.0326	0.1143	0.1143
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.135	0.5767	0.5
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Echinococcus granulosus	anosmin 1	0.0317	0.1101	0.1101
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0317	0.1101	0.1101
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0317	0.1101	0.1101
Schistosoma mansoni	titin	0.0317	0.1101	0.1101
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0136	0.0285	0.0285
Echinococcus multilocularis	Fibronectin, type III	0.0317	0.1101	0.1101
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0317	0.1101	0.0637
Echinococcus multilocularis	anosmin 1	0.0317	0.1101	0.1101
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.033	0.1163	0.1163
Onchocerca volvulus		0.0317	0.1101	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Echinococcus granulosus	usherin	0.0317	0.1101	0.1101
Brugia malayi	thymidylate synthase	0.013	0.0256	0.2203
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0183	0.0495	0.5
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.2248	0.9826	0.9817
Onchocerca volvulus		0.0317	0.1101	0.0867
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0317	0.1101	0.1101
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0104	0.014	0.014
Schistosoma mansoni	neuroglian	0.0317	0.1101	0.1101
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0155	0.037	0.3242
Brugia malayi	Fibronectin type III domain containing protein	0.0317	0.1101	0.9465
Schistosoma mansoni	factor for adipocyte differentiation	0.0317	0.1101	0.1101
Echinococcus granulosus	anosmin 1	0.0317	0.1101	0.1101
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0317	0.1101	0.9465
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Schistosoma mansoni	nephrin	0.0317	0.1101	0.1101
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0317	0.1101	0.1101
Echinococcus multilocularis	fibronectin type III domain-containing protein	0.0317	0.1101	0.1101
Onchocerca volvulus		0.0317	0.1101	0.0867
Brugia malayi	Protein-tyrosine phosphatase	0.0317	0.1101	0.9465
Echinococcus granulosus	Niemann Pick C1 protein	0.0136	0.0285	0.0285
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2287	1	1
Schistosoma mansoni	cell adhesion molecule	0.0317	0.1101	0.1101
Echinococcus granulosus	G1Y162 protein	0.0317	0.1101	0.1101
Mycobacterium ulcerans	hypothetical protein	0.135	0.5767	1
Schistosoma mansoni	patched 1	0.0136	0.0285	0.0285
Schistosoma mansoni	ephrin receptor	0.0317	0.1101	0.1101
Onchocerca volvulus		0.0317	0.1101	0.0867
Schistosoma mansoni	hemicentin	0.0317	0.1101	0.1101
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0317	0.1101	0.1101
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.2248	0.9826	0.9817
Echinococcus granulosus	titin	0.0317	0.1101	0.1101
Echinococcus multilocularis	Netrin receptor DCC	0.0317	0.1101	0.1101
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0104	0.014	0.1203
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0976	0.4078	0.3769
Echinococcus granulosus	roundabout 2	0.0317	0.1101	0.1101
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0104	0.014	0.014
Echinococcus granulosus	roundabout 2	0.0317	0.1101	0.1101
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0317	0.1101	0.1101
Echinococcus granulosus	Netrin receptor DCC	0.0317	0.1101	0.1101
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Echinococcus granulosus	roundabout 2	0.0317	0.1101	0.1101
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Echinococcus granulosus	Phosphotidylinositol phosphatase PTPRQ	0.0317	0.1101	0.1101
Echinococcus multilocularis	cell adhesion molecule	0.0317	0.1101	0.1101
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0317	0.1101	0.9465
Echinococcus multilocularis	transfer RNA-Phe	0.0317	0.1101	0.1101
Echinococcus granulosus	sterol regulatory element binding protein	0.0136	0.0285	0.0285
Schistosoma mansoni	cell adhesion molecule	0.0317	0.1101	0.1101
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.013	0.0256	0.5
Loa Loa (eye worm)	CAMK protein kinase	0.0317	0.1101	0.1101
Trypanosoma brucei	Fibronectin type III domain containing protein, putative	0.0317	0.1101	0.0637
Brugia malayi	Fibronectin type III domain containing protein	0.0317	0.1101	0.9465
Brugia malayi	Fibronectin type III domain containing protein	0.0317	0.1101	0.9465
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0104	0.014	0.014
Schistosoma mansoni	hypothetical protein	0.0317	0.1101	0.1101
Schistosoma mansoni	factor for adipocyte differentiation	0.0317	0.1101	0.1101
Echinococcus multilocularis	roundabout 2	0.0317	0.1101	0.1101
Loa Loa (eye worm)	hypothetical protein	0.033	0.1163	0.1163
Echinococcus granulosus	fibronectin type III domain-containing protein	0.0317	0.1101	0.1101
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Echinococcus multilocularis	Down syndrome cell adhesion molecule	0.0317	0.1101	0.1101
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0285	0.0285
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.013	0.0256	0.0256
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0317	0.1101	0.1101
Loa Loa (eye worm)	projectin	0.0317	0.1101	0.1101
Trichomonas vaginalis	conserved hypothetical protein	0.0136	0.0285	0.2491
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0317	0.1101	0.9465
Brugia malayi	myotactin form B	0.0317	0.1101	0.9465
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0317	0.1101	0.1101
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0317	0.1101	0.1101
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0317	0.1101	0.9465
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.033	0.1163	0.1163
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0317	0.1101	0.9465
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0317	0.1101	0.1101
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.013	0.0256	0.5
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0317	0.1101	0.1101
Giardia lamblia	Hypothetical protein	0.135	0.5767	1
Brugia malayi	glutaminase DH11.1	0.0326	0.1143	0.9825
Echinococcus granulosus	titin	0.0317	0.1101	0.1101
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0317	0.1101	0.1101
Echinococcus multilocularis	anosmin 1	0.0317	0.1101	0.1101
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.033	0.1163	0.0702
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Echinococcus multilocularis	Fibronectin type III domain containing protein	0.0317	0.1101	0.1101
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	0.033	0.1163	1
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0317	0.1101	0.1101
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Schistosoma mansoni	6-phosphofructokinase	0.2287	1	1
Echinococcus multilocularis	roundabout 2	0.0317	0.1101	0.1101
Echinococcus granulosus	Fibronectin type III domain containing protein	0.0317	0.1101	0.1101
Echinococcus multilocularis	neuroglian	0.0317	0.1101	0.1101
Loa Loa (eye worm)	lethal protein 805	0.0317	0.1101	0.1101
Echinococcus granulosus	Down syndrome cell adhesion molecule	0.0317	0.1101	0.1101
Schistosoma mansoni	serine/threonine protein kinase	0.0317	0.1101	0.1101
Trypanosoma cruzi	hypothetical protein, conserved	0.0317	0.1101	0.0637
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0317	0.1101	0.1101
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0317	0.1101	0.1101
Mycobacterium ulcerans	glutaminase	0.0326	0.1143	0.1609
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0155	0.037	0.3242
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2287	1	1
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0317	0.1101	0.1101
Echinococcus granulosus	anosmin 1	0.0317	0.1101	0.1101
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0317	0.1101	0.9465
Onchocerca volvulus		0.0317	0.1101	0.0867
Brugia malayi	Fibronectin type III domain containing protein	0.0317	0.1101	0.9465
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0104	0.014	0.014
Schistosoma mansoni	hypothetical protein	0.0317	0.1101	0.1101
Echinococcus multilocularis	thymidylate synthase	0.013	0.0256	0.0256
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.2248	0.9826	0.9817
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.033	0.1163	0.1163
Echinococcus granulosus	thymidylate synthase	0.013	0.0256	0.0256
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0136	0.0285	0.0285
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0317	0.1101	0.9465
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0104	0.014	0.014
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0976	0.4078	0.3769
Brugia malayi	protein unc-22	0.0317	0.1101	0.9465
Echinococcus multilocularis	roundabout 2	0.0317	0.1101	0.1101
Schistosoma mansoni	titin	0.0317	0.1101	0.1101
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0317	0.1101	0.1101
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Loa Loa (eye worm)	UNCoordinated family member	0.0317	0.1101	0.1101
Echinococcus multilocularis	titin	0.0317	0.1101	0.1101
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2248	0.9826	0.9817
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0317	0.1101	0.1101
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0317	0.1101	0.1101
Brugia malayi	CHE-14 protein	0.0136	0.0285	0.2448
Schistosoma mansoni	myosin-binding protein-related	0.0317	0.1101	0.1101
Leishmania major	hypothetical protein, conserved	0.0317	0.1101	0.0637
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0317	0.1101	0.0637
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Brugia malayi	hypothetical protein	0.0317	0.1101	0.9465
Brugia malayi	Fibronectin type III domain containing protein	0.0317	0.1101	0.9465
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.033	0.1163	0.0702
Onchocerca volvulus		0.0317	0.1101	0.0867
Echinococcus multilocularis	sterol regulatory element binding protein	0.0136	0.0285	0.0285
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0317	0.1101	0.9465
Schistosoma mansoni	cell adhesion molecule	0.0317	0.1101	0.1101
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.033	0.1163	0.1645
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0317	0.1101	0.9465
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0317	0.1101	0.1101
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2287	1	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0317	0.1101	0.1101
Echinococcus granulosus	contactin	0.0317	0.1101	0.1101
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0155	0.037	0.3242
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0317	0.1101	0.9465
Loa Loa (eye worm)	thymidylate synthase	0.013	0.0256	0.0256
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0976	0.4078	0.3769
Onchocerca volvulus		0.0317	0.1101	0.0867
Loa Loa (eye worm)	hypothetical protein	0.2248	0.9826	0.9826
Echinococcus granulosus	nephrin	0.0317	0.1101	0.1101
Schistosoma mansoni	cell adhesion molecule	0.0317	0.1101	0.1101
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.033	0.1163	0.0702
Brugia malayi	hypothetical protein	0.0317	0.1101	0.9465
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0104	0.014	0.014
Echinococcus multilocularis	Phosphotidylinositol phosphatase PTPRQ	0.0317	0.1101	0.1101
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Loa Loa (eye worm)	glutaminase	0.0326	0.1143	0.1143
Loa Loa (eye worm)	glutaminase 2	0.0326	0.1143	0.1143
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.135	0.5767	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0317	0.1101	0.9465
Echinococcus granulosus	cell adhesion molecule	0.0317	0.1101	0.1101
Echinococcus multilocularis	anosmin 1	0.0317	0.1101	0.1101
Onchocerca volvulus		0.0317	0.1101	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0317	0.1101	0.1101
Echinococcus multilocularis	Niemann Pick C1 protein	0.0136	0.0285	0.0285
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0317	0.1101	0.9465
Echinococcus multilocularis	usherin	0.0317	0.1101	0.1101
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.2287	1	1
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0317	0.1101	0.1101
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Echinococcus multilocularis	protein dispatched 1	0.0136	0.0285	0.0285
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0317	0.1101	0.1101
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0317	0.1101	0.9465
Onchocerca volvulus		0.2287	1	1
Onchocerca volvulus		0.0317	0.1101	0.0867
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0317	0.1101	0.1101
Echinococcus granulosus	Protein patched homolog 1	0.0136	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Loa Loa (eye worm)	hypothetical protein	0.2287	1	1
Echinococcus granulosus	neuroglian	0.0317	0.1101	0.1101
Trichomonas vaginalis	glutaminase, putative	0.0326	0.1143	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0317	0.1101	0.9465
Echinococcus granulosus	Fibronectin type III	0.0317	0.1101	0.1101
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0317	0.1101	0.1101
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0317	0.1101	0.1101
Echinococcus granulosus	Phosphotidylinositol phosphatase PTPRQ	0.0317	0.1101	0.1101
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0317	0.1101	0.9465
Brugia malayi	Fibronectin type III domain containing protein	0.0317	0.1101	0.9465
Echinococcus multilocularis	titin	0.0317	0.1101	0.1101
Brugia malayi	SPRY domain containing protein	0.0317	0.1101	0.9465
Brugia malayi	Lethal protein 805	0.0317	0.1101	0.9465
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1101	0.1101
Echinococcus granulosus	Netrin receptor DCC	0.0317	0.1101	0.1101

Activities

Activity type	Activity value	Assay description	Source	Reference
clogP	= 1.86	Calculated partition coefficient (clogP)	ChEMBL.	1992149
clogP	= 1.86	Calculated partition coefficient (clogP)	ChEMBL.	1597859
IC50 (binding)	= 10 nM	Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver.	ChEMBL.	1992149
IC50 (functional)	= 17 nM	Incorporation of [14C]- acetate into sterols measured in rat liver.	ChEMBL.	1992149
IC50 (functional)	= 29 nM	Incorporation of [14C]- acetate into sterols measured in rat spleen.	ChEMBL.	1992149
IC50 (functional)	= 82 nM	Incorporation of [14C]- acetate into sterols measured in rat testis.	ChEMBL.	1992149
IC50 (binding)	= 0.008 uM	Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations.	ChEMBL.	1597859
IC50 (binding)	= 0.024 uM	Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations.	ChEMBL.	1597859
IC50 ratio (functional)	= 1.7	IC50 ratio evaluated as the IC50 values of spleen to that of liver.	ChEMBL.	1992149
IC50 ratio (functional)	= 4.8	IC50 ratio evaluated as the IC50 values of testis to that of liver.	ChEMBL.	1992149
Inhibition (functional)	= 0 %	The compound in ring opened form was tested in vivo for the inhibition of cholesterol biosynthesis in chow-fed rats at 1.0 mg/kg.	ChEMBL.	1597859
Inhibition (functional)	= 85 %	The compound in lactone form was tested in vivo for the inhibition of cholesterol biosynthesis in chow-fed rats at 1.0 mg/kg.	ChEMBL.	1597859
Inhibition (functional)	= 98 %	Tested in vivo for the inhibition of cholesterol biosynthesis in chow-fed rats at 1.0 mg/kg.	ChEMBL.	1597859

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: 203373

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 106033