TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 457.445 | Formula: C24H22F3N3O3
H donors: 2 H acceptors: 4 LogP: 2.51 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OCCn1ncc(c1)c1cc(cc2c1c1ccccc1C2(O)C(F)(F)F)C(=O)N1CCCC1
InChi: 1S/C24H22F3N3O3/c25-24(26,27)23(33)19-6-2-1-5-17(19)21-18(16-13-28-30(14-16)9-10-31)11-15(12-20(21)23)22(32)29-7-3-4-8-29/h1-2,5-6,11-14,31,33H,3-4,7-10H2
InChiKey: JHLHDHLUOOLDCK-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	pyruvate dehydrogenase kinase, isozyme 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	pyruvate dehydrogenase	Get druggable targets OG5_127409	All targets in OG5_127409
Candida albicans	similar to S. pombe SPAC644.11c predicted pyruvate dehydrogenase kinase	Get druggable targets OG5_127409	All targets in OG5_127409
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	Get druggable targets OG5_127409	All targets in OG5_127409
Schistosoma mansoni	pyruvate dehydrogenase	Get druggable targets OG5_127409	All targets in OG5_127409
Leishmania major	developmentally regulated phosphoprotein-like protein	Get druggable targets OG5_127409	All targets in OG5_127409
Trypanosoma brucei gambiense	developmentally regulated phosphoprotein	Get druggable targets OG5_127409	All targets in OG5_127409
Leishmania infantum	developmentally regulated phosphoprotein-like protein	Get druggable targets OG5_127409	All targets in OG5_127409
Trypanosoma congolense	developmentally regulated phosphoprotein, putative	Get druggable targets OG5_127409	All targets in OG5_127409
Leishmania braziliensis	developmentally regulated phosphoprotein-like protein	Get druggable targets OG5_127409	All targets in OG5_127409
Brugia malayi	kinase, mitochondrial precursor	Get druggable targets OG5_127409	All targets in OG5_127409
Trypanosoma brucei	developmentally regulated phosphoprotein	Get druggable targets OG5_127409	All targets in OG5_127409
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	Get druggable targets OG5_127409	All targets in OG5_127409
Leishmania mexicana	developmentally regulated phosphoprotein-like protein	Get druggable targets OG5_127409	All targets in OG5_127409
Leishmania donovani	developmentally regulated phosphoprotein-like protein	Get druggable targets OG5_127409	All targets in OG5_127409
Schistosoma japonicum	[Pyruvate dehydrogenase [lipoamide]] kinase, mitochondrial precursor, putative	Get druggable targets OG5_127409	All targets in OG5_127409
Schistosoma japonicum	ko:K00898 pyruvate dehydrogenase kinase [EC2.7.11.2], putative	Get druggable targets OG5_127409	All targets in OG5_127409
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127409	All targets in OG5_127409
Schistosoma mansoni	pyruvate dehydrogenase	Get druggable targets OG5_127409	All targets in OG5_127409
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	Get druggable targets OG5_127409	All targets in OG5_127409
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	Get druggable targets OG5_127409	All targets in OG5_127409

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	pyruvate dehydrogenase (lipoamide) kinase, putative	pyruvate dehydrogenase kinase, isozyme 2	343 aa	321 aa	22.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	beta tubulin	0.0287	1	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0192	0.6599	0.6599
Leishmania major	beta tubulin	0.0287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0296	0.0296
Brugia malayi	neuropeptide F receptor	0.0192	0.6599	0.6599
Wolbachia endosymbiont of Brugia malayi	membrane associated signal transduction histidine kinase	0.0008	0	0.5
Echinococcus multilocularis	dro:myosuppressin receptor	0.0192	0.6599	0.6599
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0016	0.0296	0.0296
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0192	0.6599	0.6599
Brugia malayi	G protein-coupled receptor F59B2.13	0.0192	0.6599	0.6599
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0192	0.6599	0.6599
Echinococcus multilocularis	Tubulin beta 2C chain	0.0287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Leishmania major	beta tubulin	0.0287	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0192	0.6599	0.6599
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0287	1	1
Onchocerca volvulus		0.0192	0.6599	1
Mycobacterium leprae	Probable two component sensor kinase MprB	0.0008	0	0.5
Brugia malayi	G-protein coupled receptor	0.0192	0.6599	0.6599
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0192	0.6599	0.6599
Echinococcus multilocularis	neuropeptide receptor A26	0.0192	0.6599	0.6599
Mycobacterium leprae	Probable two-component sensor kinase	0.0008	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0192	0.6599	0.6599
Trichomonas vaginalis	tubulin, putative	0.0287	1	1
Echinococcus granulosus	somatostatin receptor	0.0192	0.6599	0.6599
Echinococcus granulosus	fmrfamide receptor	0.0192	0.6599	0.6599
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0296	0.0296
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0192	0.6599	0.6599
Echinococcus granulosus	neuropeptide Y receptor	0.0192	0.6599	0.6599
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0192	0.6599	1
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0192	0.6599	0.6599
Brugia malayi	putative neuropeptide receptor	0.0192	0.6599	0.6599
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.0144	0.4872	0.4872
Echinococcus granulosus	tubulin beta 1 chain	0.0287	1	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Schistosoma mansoni	neuropeptide F-like receptor	0.0192	0.6599	0.6599
Echinococcus granulosus	Tubulin beta 2C chain	0.0287	1	1
Echinococcus granulosus	neuropeptide FF receptor 2	0.0192	0.6599	0.6599
Onchocerca volvulus		0.0192	0.6599	1
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Echinococcus multilocularis	fmrfamide receptor	0.0192	0.6599	0.6599
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0192	0.6599	0.6599
Onchocerca volvulus		0.0192	0.6599	1
Toxoplasma gondii	beta-tubulin, putative	0.0287	1	1
Onchocerca volvulus		0.0192	0.6599	1
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0192	0.6599	0.6599
Trypanosoma brucei	beta tubulin	0.0287	1	1
Echinococcus multilocularis	g-protein coupled receptor	0.0192	0.6599	0.6599
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0192	0.6599	0.6599
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0192	0.6599	0.6599
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0192	0.6599	0.6599
Loa Loa (eye worm)	BEN-1 protein	0.0287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Echinococcus multilocularis	beta tubulin	0.0287	1	1
Echinococcus multilocularis	allatostatin A receptor	0.0192	0.6599	0.6599
Echinococcus multilocularis	Tubulin beta 2C chain	0.0287	1	1
Echinococcus multilocularis	g protein coupled receptor	0.0192	0.6599	0.6599
Echinococcus granulosus	rhodopsin orphan GPCR	0.0192	0.6599	0.6599
Brugia malayi	hypothetical protein	0.0192	0.6599	0.6599
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0008	0.0012	1
Wolbachia endosymbiont of Brugia malayi	signal transduction histidine kinase and receiver	0.0008	0	0.5
Giardia lamblia	DINP protein human, muc B family	0.0008	0.0012	0.0012
Onchocerca volvulus		0.0192	0.6599	1
Echinococcus granulosus	tubulin subunit beta	0.0287	1	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0192	0.6599	0.6599
Trypanosoma brucei	unspecified product	0.0014	0.0203	0.0203
Brugia malayi	hypothetical protein	0.0192	0.6599	0.6599
Echinococcus multilocularis	neuropeptide Y receptor	0.0192	0.6599	0.6599
Echinococcus multilocularis	serotonin receptor	0.0192	0.6599	0.6599
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0192	0.6599	0.6599
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0192	0.6599	0.6599
Echinococcus granulosus	rhodopsin orphan GPCR	0.0192	0.6599	0.6599
Plasmodium vivax	tubulin beta chain, putative	0.0287	1	1
Schistosoma mansoni	amine GPCR	0.0192	0.6599	0.6599
Schistosoma mansoni	tubulin subunit beta	0.0287	1	1
Chlamydia trachomatis	DNA gyrase subunit B	0.0008	0	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.0192	0.6599	0.6599
Echinococcus granulosus	7tm_1 domain containing protein	0.0192	0.6599	0.6599
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0296	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0192	0.6599	0.6599
Mycobacterium leprae	PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3	0.0008	0	0.5
Echinococcus granulosus	7TM GPCR rhodopsin	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0016	0.0296	0.0296
Schistosoma mansoni	amine GPCR	0.0192	0.6599	0.6599
Schistosoma mansoni	tubulin subunit beta	0.0287	1	1
Echinococcus multilocularis	somatostatin receptor	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Echinococcus multilocularis	Tubulin beta 2C chain	0.0287	1	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0192	0.6599	0.6599
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0192	0.6599	0.6599
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0192	0.6599	0.6599
Onchocerca volvulus		0.0192	0.6599	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0287	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0296	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Trypanosoma brucei	pyruvate dehydrogenase (lipoamide) kinase, putative	0.005	0.1517	0.1517
Onchocerca volvulus		0.0192	0.6599	1
Toxoplasma gondii	pyruvate dehydrogenase kinase, putative	0.005	0.1517	0.1517
Echinococcus granulosus	serotonin receptor	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Brugia malayi	hypothetical protein	0.0192	0.6599	0.6599
Onchocerca volvulus		0.0192	0.6599	1
Brugia malayi	hypothetical protein	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Echinococcus granulosus	neuropeptide receptor A26	0.0192	0.6599	0.6599
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0192	0.6599	0.6599
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Onchocerca volvulus		0.0192	0.6599	1
Echinococcus multilocularis	neuropeptide receptor	0.0192	0.6599	0.6599
Echinococcus multilocularis	g protein coupled receptor	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Schistosoma mansoni	biogenic amine receptor	0.0192	0.6599	0.6599
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0192	0.6599	0.6599
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0192	0.6599	0.6599
Trypanosoma brucei	DNA polymerase kappa, putative	0.0012	0.0155	0.0155
Echinococcus multilocularis	neuropeptide receptor	0.0192	0.6599	0.6599
Echinococcus granulosus	hypothetical protein	0.0192	0.6599	0.6599
Loa Loa (eye worm)	tubulin beta-2A chain	0.0287	1	1
Brugia malayi	ORL1-like opioid receptor	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Treponema pallidum	chemotaxis histidine kinase (cheA)	0.0008	0	0.5
Echinococcus multilocularis	Tubulin beta 2C chain	0.0287	1	1
Schistosoma mansoni	amine GPCR	0.0192	0.6599	0.6599
Trichomonas vaginalis	DNA polymerase eta, putative	0.0016	0.0296	0.0296
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0192	0.6599	0.6599
Echinococcus multilocularis	serotonin receptor	0.0192	0.6599	0.6599
Leishmania major	beta tubulin	0.0287	1	1
Echinococcus granulosus	beta tubulin	0.0287	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0287	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0192	0.6599	0.6599
Echinococcus granulosus	sex peptide receptor	0.0192	0.6599	0.6599
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Echinococcus granulosus	Tubulin beta 2C chain	0.0287	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0192	0.6599	0.6599
Schistosoma mansoni	tubulin subunit beta	0.0287	1	1
Leishmania major	beta tubulin	0.0287	1	1
Leishmania major	developmentally regulated phosphoprotein-like protein	0.0144	0.4872	0.4872
Brugia malayi	Serotonin receptor	0.0192	0.6599	0.6599
Echinococcus granulosus	g-protein coupled receptor	0.0192	0.6599	0.6599
Onchocerca volvulus		0.0192	0.6599	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0192	0.6599	0.6599
Loa Loa (eye worm)	BEN-1 protein	0.0287	1	1
Loa Loa (eye worm)	TYRA-2 protein	0.0192	0.6599	0.6599
Schistosoma mansoni	neuropeptide receptor	0.0192	0.6599	0.6599
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0192	0.6599	0.6599
Echinococcus granulosus	biogenic amine 5HT receptor	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Echinococcus multilocularis	tubulin subunit beta	0.0287	1	1
Schistosoma mansoni	tubulin subunit beta	0.0287	1	1
Leishmania major	beta tubulin	0.0287	1	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0192	0.6599	0.6599
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0192	0.6599	1
Leishmania major	beta tubulin	0.0287	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0192	0.6599	0.6599
Echinococcus granulosus	neuropeptide receptor	0.0192	0.6599	0.6599
Trypanosoma brucei	DNA polymerase IV, putative	0.0016	0.0296	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Leishmania major	beta tubulin	0.0287	1	1
Giardia lamblia	Beta tubulin	0.0287	1	1
Schistosoma mansoni	opsin-like receptor	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Echinococcus granulosus	neuropeptide receptor	0.0192	0.6599	0.6599
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0192	0.6599	0.6599
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0192	0.6599	0.6599
Brugia malayi	neuropeptide F receptor	0.0192	0.6599	0.6599
Schistosoma mansoni	adenoreceptor	0.0192	0.6599	0.6599
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0192	0.6599	0.6599
Echinococcus granulosus	dro:myosuppressin receptor	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.0008	0	0.5
Brugia malayi	sulfakinin receptor protein	0.0192	0.6599	0.6599
Echinococcus multilocularis	neuropeptides capa receptor	0.0192	0.6599	0.6599
Brugia malayi	Dopamine receptor protein 2	0.0192	0.6599	0.6599
Leishmania major	pyruvate dehydrogenase (lipoamide) kinase, putative	0.005	0.1517	0.1517
Schistosoma mansoni	histamine h1 receptor	0.0192	0.6599	0.6599
Echinococcus granulosus	G protein coupled receptor 139	0.0192	0.6599	0.6599
Leishmania major	DNA polymerase kappa, putative	0.0008	0.0012	0.0012
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0192	0.6599	0.6599
Onchocerca volvulus		0.0192	0.6599	1
Brugia malayi	kinase, mitochondrial precursor	0.0144	0.4872	0.4872
Toxoplasma gondii	beta tubulin	0.0287	1	1
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0008	0	0.5
Trypanosoma brucei	developmentally regulated phosphoprotein	0.0144	0.4872	0.4872
Echinococcus granulosus	tm gpcr rhodopsin	0.0192	0.6599	0.6599
Leishmania major	beta tubulin	0.0287	1	1
Schistosoma mansoni	pyruvate dehydrogenase	0.0136	0.4585	0.4585
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0296	0.0296
Trypanosoma brucei	DNA polymerase IV, putative	0.0014	0.0203	0.0203
Loa Loa (eye worm)	tubulin beta chain	0.0287	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0192	0.6599	0.6599
Brugia malayi	hypothetical protein	0.0192	0.6599	0.6599
Toxoplasma gondii	beta-1 tubulin, putative	0.0287	1	1
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0192	0.6599	0.6599
Echinococcus granulosus	dna polymerase kappa	0.0016	0.0296	0.0296
Brugia malayi	RE15519p	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0192	0.6599	0.6599
Echinococcus granulosus	allatostatin A receptor	0.0192	0.6599	0.6599
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0192	0.6599	0.6599
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0192	0.6599	0.6599
Schistosoma mansoni	amine GPCR	0.0192	0.6599	0.6599
Echinococcus granulosus	neuropeptides capa receptor	0.0192	0.6599	0.6599
Echinococcus granulosus	Tubulin beta 2C chain	0.0287	1	1
Entamoeba histolytica	tubulin family protein	0.0287	1	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0192	0.6599	0.6599
Schistosoma mansoni	growth hormone secretagogue receptor	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Schistosoma mansoni	neuropeptide receptor	0.0192	0.6599	0.6599
Brugia malayi	AKH receptor	0.0192	0.6599	0.6599
Echinococcus multilocularis	tubulin beta 1 chain	0.0287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Leishmania major	beta tubulin	0.0287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0192	0.6599	0.6599
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0192	0.6599	0.6599
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0144	0.4872	0.4872
Echinococcus multilocularis	G protein coupled receptor 139	0.0192	0.6599	0.6599
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0296	0.0296
Schistosoma mansoni	neuropeptide f receptor 76f	0.0192	0.6599	0.6599
Onchocerca volvulus		0.0192	0.6599	1
Trypanosoma cruzi	beta tubulin, putative	0.0287	1	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0192	0.6599	0.6599
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0192	0.6599	0.6599
Leishmania major	beta tubulin	0.0287	1	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0016	0.0296	0.0296
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0058	0.1804	0.1804
Brugia malayi	G protein-coupled receptor	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Onchocerca volvulus		0.0192	0.6599	1
Leishmania major	beta tubulin	0.0287	1	1
Onchocerca volvulus		0.0192	0.6599	1
Giardia lamblia	Beta tubulin	0.0287	1	1
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0144	0.4872	0.4872
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0192	0.6599	0.6599
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0192	0.6599	0.6599
Brugia malayi	hypothetical protein	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Leishmania major	beta tubulin	0.0287	1	1
Echinococcus granulosus	g protein coupled receptor	0.0192	0.6599	0.6599
Schistosoma mansoni	opsin-like receptor	0.0192	0.6599	0.6599
Echinococcus granulosus	tubulin beta 4A class IVa	0.0287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Onchocerca volvulus		0.0192	0.6599	1
Schistosoma mansoni	pyruvate dehydrogenase	0.0144	0.4872	0.4872
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0296	0.0296
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0192	0.6599	0.6599
Brugia malayi	hypothetical protein	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Trypanosoma brucei	DNA polymerase kappa, putative	0.0008	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	0.0144	0.4872	0.4872
Echinococcus granulosus	rhodopsin orphan GPCR	0.0192	0.6599	0.6599
Echinococcus multilocularis	dna polymerase kappa	0.0016	0.0296	0.0296
Trypanosoma brucei	beta tubulin	0.0287	1	1
Plasmodium falciparum	tubulin beta chain	0.0287	1	1
Brugia malayi	Melatonin receptor type 1A	0.0192	0.6599	0.6599
Echinococcus multilocularis	sex peptide receptor	0.0192	0.6599	0.6599
Loa Loa (eye worm)	tubulin beta-4 chain	0.0287	1	1
Schistosoma mansoni	tubulin subunit beta	0.0287	1	1
Trypanosoma cruzi	pyruvate dehydrogenase (lipoamide) kinase, putative	0.005	0.1517	0.1517
Echinococcus multilocularis	g protein coupled receptor	0.0192	0.6599	0.6599
Echinococcus multilocularis	neuropeptide s receptor	0.0192	0.6599	0.6599
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0192	0.6599	0.6599
Echinococcus granulosus	neuropeptides capa receptor	0.0192	0.6599	0.6599
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0016	0.0296	0.0296
Echinococcus multilocularis	neuropeptide Y receptor	0.0192	0.6599	0.6599
Schistosoma mansoni	hypothetical protein	0.0192	0.6599	0.6599
Schistosoma mansoni	myosin xvIII	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Brugia malayi	hypothetical protein	0.0192	0.6599	0.6599
Echinococcus granulosus	biogenic amine 5HT receptor	0.0192	0.6599	0.6599
Echinococcus granulosus	neuropeptide s receptor	0.0192	0.6599	0.6599
Echinococcus granulosus	tm gpcr rhodopsin	0.0192	0.6599	0.6599
Echinococcus granulosus	g protein coupled receptor	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0144	0.4872	0.4872
Echinococcus granulosus	tm gpcr rhodopsin	0.0192	0.6599	0.6599
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0192	0.6599	0.6599
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0192	0.6599	0.6599
Schistosoma mansoni	biogenic amine receptor	0.0192	0.6599	0.6599
Mycobacterium ulcerans	DNA polymerase IV	0.0016	0.0296	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0192	0.6599	0.6599
Onchocerca volvulus		0.0192	0.6599	1
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0192	0.6599	0.6599
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0016	0.0296	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0192	0.6599	0.6599
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0296	0.0296
Loa Loa (eye worm)	beta-tubulin	0.0287	1	1
Schistosoma mansoni	hypothetical protein	0.0192	0.6599	0.6599
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0192	0.6599	0.6599
Echinococcus multilocularis	fmrfamide receptor	0.0192	0.6599	0.6599
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Brugia malayi	Dopamine receptor	0.0192	0.6599	0.6599
Entamoeba histolytica	tubulin family protein	0.0287	1	1
Brugia malayi	Serotonin receptor	0.0192	0.6599	0.6599
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0192	0.6599	0.6599
Echinococcus granulosus	g protein coupled receptor	0.0192	0.6599	0.6599
Brugia malayi	Dopamine receptor protein 1	0.0192	0.6599	0.6599
Loa Loa (eye worm)	neuropeptide F receptor	0.0192	0.6599	0.6599
Brugia malayi	hypothetical protein	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Loa Loa (eye worm)	G-protein coupled receptor	0.0192	0.6599	0.6599
Echinococcus granulosus	orexin receptor type 2	0.0192	0.6599	0.6599
Onchocerca volvulus		0.0192	0.6599	1
Mycobacterium ulcerans	DNA polymerase IV	0.0016	0.0296	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0287	1	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0192	0.6599	0.6599
Echinococcus granulosus	neuropeptide Y receptor	0.0192	0.6599	0.6599
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0192	0.6599	0.6599
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.0008	0	0.5
Leishmania major	beta tubulin	0.0287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Brugia malayi	follicle stimulating hormone receptor	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Echinococcus multilocularis	neuropeptides capa receptor	0.0192	0.6599	0.6599
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0192	0.6599	0.6599
Echinococcus multilocularis	orexin receptor type 2	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Schistosoma mansoni	hypothetical protein	0.0192	0.6599	0.6599
Loa Loa (eye worm)	melatonin receptor type 1A	0.0192	0.6599	0.6599
Mycobacterium leprae	TWO COMPONENT SENSOR HISTIDINE KINASE PRRB	0.0008	0	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0192	0.6599	0.6599
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Echinococcus granulosus	Tubulin beta 2C chain	0.0287	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0287	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Schistosoma mansoni	biogenic amine receptor	0.0192	0.6599	0.6599
Trichomonas vaginalis	tubulin alpha chain, putative	0.0287	1	1
Brugia malayi	G-protein coupled receptor	0.0192	0.6599	0.6599
Schistosoma mansoni	pyruvate dehydrogenase	0.0136	0.4585	0.4585
Leishmania major	beta tubulin	0.0287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Leishmania major	beta tubulin	0.0287	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0016	0.0296	0.0296
Schistosoma mansoni	hypothetical protein	0.0192	0.6599	0.6599
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0192	0.6599	0.6599
Brugia malayi	polk-prov protein	0.0012	0.0155	0.0155
Schistosoma mansoni	amine GPCR	0.0192	0.6599	0.6599
Trypanosoma brucei	beta tubulin	0.0287	1	1
Chlamydia trachomatis	DNA gyrase subunit B	0.0008	0	0.5
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0192	0.6599	0.6599
Brugia malayi	larval opioid receptor	0.0192	0.6599	0.6599
Brugia malayi	beta-tubulin, identical	0.0287	1	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.0287	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0296	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0155	0.0155
Echinococcus granulosus	rhodopsin orphan GPCR	0.0192	0.6599	0.6599
Schistosoma mansoni	opsin-like receptor	0.0192	0.6599	0.6599
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0192	0.6599	0.6599
Brugia malayi	hypothetical protein	0.0192	0.6599	0.6599
Brugia malayi	GnHR receptor homolog	0.0192	0.6599	0.6599
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6599	0.6599
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0008	0.0012	0.0012
Leishmania major	beta tubulin	0.0287	1	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0192	0.6599	0.6599
Giardia lamblia	Beta tubulin	0.0287	1	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0192	0.6599	0.6599
Schistosoma mansoni	tubulin subunit beta	0.0287	1	1
Echinococcus multilocularis	beta tubulin	0.0287	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0287	1	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0192	0.6599	0.6599
Leishmania major	beta tubulin	0.0287	1	1
Trypanosoma brucei	beta tubulin	0.0287	1	1
Schistosoma mansoni	neuropeptide receptor	0.0192	0.6599	0.6599
Brugia malayi	putative neuropeptide receptor NPR1	0.0192	0.6599	0.6599
Schistosoma mansoni	neuropeptide receptor	0.0192	0.6599	0.6599
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0192	0.6599	0.6599
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0192	0.6599	0.6599
Trypanosoma brucei	DNA polymerase kappa, putative	0.0012	0.0155	0.0155
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0192	0.6599	0.6599
Leishmania major	beta tubulin	0.0287	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 20 nM	BindingDB_Patents: Inhibition Assay. The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the residual PDH activity. For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDHK2 cDNA. Escherichia coli were grown to an optical density 0.6 (600 nmol/L) at 30C. Protein expression was induced by the addition of 500 umol/L isopropyl-beta-thiogalactopyranoside. Escherichia coli were cultured at 30 C. for 5 hr and harvested by centrifugation. Resuspension of the Escherichia coli paste was disrupted by a microfluidizer. FLAG-Tagged protein was separated using FLAG affinity gel (Sigma). The gel was washed with 20 mmol/L N-(2-hydroxyethyl)piperazine-N'-2-ethanesulfonic acid-sodium hydroxide (HEPES-NaOH), 500 mmol/L sodium chloride, 1% ethylene glycol, and 0.1% Pluronic F-68 (pH 8.0), and the binding protein was eluted with 20 mmol/L HEPES.	ChEMBL.	No reference
IC50 (binding)	= 53 nM	BindingDB_Patents: Inhibition Assay. The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the residual PDH activity. For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDHK2 cDNA. Escherichia coli were grown to an optical density 0.6 (600 nmol/L) at 30C. Protein expression was induced by the addition of 500 umol/L isopropyl-beta-thiogalactopyranoside. Escherichia coli were cultured at 30 C. for 5 hr and harvested by centrifugation. Resuspension of the Escherichia coli paste was disrupted by a microfluidizer. FLAG-Tagged protein was separated using FLAG affinity gel (Sigma). The gel was washed with 20 mmol/L N-(2-hydroxyethyl)piperazine-N'-2-ethanesulfonic acid-sodium hydroxide (HEPES-NaOH), 500 mmol/L sodium chloride, 1% ethylene glycol, and 0.1% Pluronic F-68 (pH 8.0), and the binding protein was eluted with 20 mmol/L HEPES.	ChEMBL.	No reference

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: CHEMBL3681675

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1976797