TDR Targets

Basic information

Technical information

TDR Targets ID: 1382698
Name: 4-methyl-6-[8-(4-methyl-6-oxopyran-2-yl)octyl ]pyran-2-one
MW: 330.418 | Formula: C20H26O4
H donors: 0 H acceptors: 2 LogP: 4.59 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc(CCCCCCCCc2cc(C)cc(=O)o2)oc(=O)c1
InChi: 1S/C20H26O4/c1-15-11-17(23-19(21)13-15)9-7-5-3-4-6-8-10-18-12-16(2)14-20(22)24-18/h11-14H,3-10H2,1-2H3
InChiKey: JMYOBTNXOWPLHZ-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

4-methyl-6-[8-(4-methyl-6-oxo-pyran-2-yl)octyl]pyran-2-one
4-methyl-6-[8-(4-methyl-6-oxo-2-pyranyl)octyl]-2-pyranone
6-[8-(6-keto-4-methyl-pyran-2-yl)octyl]-4-methyl-pyran-2-one
AO-048/13641003
ZINC02170423
4-methyl-6-[8-(4-methyl-2-oxo-2H-pyran-6-yl)octyl]-2H-pyran-2-one
MLS000706615
SMR000229346

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	DNA topoisomerase II, putative	0.0421	0.0487	0.1893
Plasmodium falciparum	endoplasmin, putative	0.0421	0.0487	1
Trypanosoma brucei	heat shock protein, putative	0.0421	0.0487	0.0485
Loa Loa (eye worm)	TKL/MLK/LZK protein kinase	0.013	0.0099	0.0099
Trichomonas vaginalis	sensor histidine kinase, putative	0.0421	0.0487	1
Plasmodium falciparum	DNA topoisomerase 2	0.0421	0.0487	1
Leishmania major	heat shock protein 83-1	0.0421	0.0487	0.0485
Loa Loa (eye worm)	endoplasmin	0.0421	0.0487	0.0487
Leishmania major	heat shock protein 83-1	0.0421	0.0487	0.0485
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3357	0.4396	0.4395
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0118	0.0118
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.1432	0.1833	0.1832
Leishmania major	hypothetical protein, conserved	0.0421	0.0487	0.0485
Treponema pallidum	chemotaxis histidine kinase (cheA)	0.0421	0.0487	1
Toxoplasma gondii	DNA topoisomerase 2, putative	0.0421	0.0487	0.121
Echinococcus multilocularis	phosphoglycerate mutase	0.0057	0.0002	0.0002
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1432	0.1833	0.1832
Schistosoma mansoni	P2X receptor subunit	0.0282	0.0302	0.0302
Mycobacterium ulcerans	two component sensor kinase MprB	0.0421	0.0487	0.1893
Giardia lamblia	Hypothetical protein	0.1981	0.2564	1
Mycobacterium tuberculosis	Probable two component sensor kinase	0.0421	0.0487	1
Mycobacterium ulcerans	two component sensor histidine kinase SenX3	0.0421	0.0487	0.1893
Brugia malayi	heat shock protein 90	0.0421	0.0487	0.0487
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.33	0.432	0.4319
Leishmania major	developmentally regulated phosphoprotein-like protein	0.7567	1	1
Schistosoma mansoni	heat shock protein	0.0421	0.0487	0.0487
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.0421	0.0487	0.1893
Mycobacterium ulcerans	two component sensory transduction histidine kinase MtrB	0.0421	0.0487	0.1893
Schistosoma mansoni	P2X receptor subunit	0.0282	0.0302	0.0302
Schistosoma mansoni	pyruvate dehydrogenase	0.7567	1	1
Echinococcus multilocularis	p2X purinoceptor 4	0.0282	0.0302	0.0302
Plasmodium vivax	heat shock protein 86, putative	0.0421	0.0487	1
Echinococcus granulosus	phosphoglycerate mutase	0.0057	0.0002	0.0002
Echinococcus granulosus	p2X purinoceptor 4	0.0282	0.0302	0.0302
Plasmodium vivax	DNA gyrase subunit B, putative	0.0421	0.0487	1
Schistosoma mansoni	6-phosphofructokinase	0.3357	0.4396	0.4396
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0421	0.0487	1
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0421	0.0487	0.0485
Leishmania major	heat shock protein 83-1	0.0421	0.0487	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0002	0.0002
Leishmania major	heat shock protein 83-1	0.0421	0.0487	0.0485
Brugia malayi	Protein kinase domain containing protein	0.013	0.0099	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0421	0.0487	0.0487
Echinococcus granulosus	p2X purinoceptor 4	0.0282	0.0302	0.0302
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.33	0.432	0.4319
Loa Loa (eye worm)	heat shock protein 90	0.0421	0.0487	0.0487
Toxoplasma gondii	heat shock protein 90, putative	0.0421	0.0487	0.121
Schistosoma mansoni	DNA topoisomerase II	0.0421	0.0487	0.0487
Echinococcus granulosus	heat shock protein 90	0.0421	0.0487	0.0487
Leishmania major	heat shock protein 83-1	0.0421	0.0487	0.0485
Loa Loa (eye worm)	phosphoglycerate mutase	0.0057	0.0002	0.0002
Mycobacterium tuberculosis	Possible two component sensor kinase	0.0421	0.0487	1
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.1036	0.1036
Entamoeba histolytica	heat shock protein 90, putative	0.0421	0.0487	0.1893
Leishmania major	heat shock protein 83-1	0.0421	0.0487	0.0485
Mycobacterium ulcerans	two component regulator - sensor kinase	0.0421	0.0487	0.1893
Plasmodium vivax	hypothetical protein, conserved	0.0421	0.0487	1
Echinococcus granulosus	heat shock protein	0.0421	0.0487	0.0487
Mycobacterium tuberculosis	Conserved protein	0.0421	0.0487	1
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0421	0.0487	0.0485
Mycobacterium ulcerans	two component system response phosphate sensor kinase, PhoR	0.0421	0.0487	0.1893
Trypanosoma cruzi	pyruvate dehydrogenase (lipoamide) kinase, putative	0.2645	0.3448	0.3447
Schistosoma mansoni	P2X receptor subunit	0.0282	0.0302	0.0302
Trichomonas vaginalis	receptor histidine kinase, putative	0.0421	0.0487	1
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0421	0.0487	0.0487
Plasmodium falciparum	heat shock protein 90	0.0421	0.0487	1
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1432	0.1833	0.1832
Echinococcus granulosus	phosphoglycerate mutase	0.0057	0.0002	0.0002
Trichomonas vaginalis	sensory transduction histidine kinase, putative	0.0421	0.0487	1
Brugia malayi	phosphoglycerate mutase family protein	0.0057	0.0002	0.0002
Schistosoma mansoni	phosphoglycerate mutase	0.0057	0.0002	0.0002
Leishmania major	mitochondrial DNA topoisomerase II	0.0421	0.0487	0.0485
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0421	0.0487	1
Trichomonas vaginalis	heat shock protein, putative	0.0421	0.0487	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0421	0.0487	0.0485
Leishmania major	heat shock protein 83-1	0.0421	0.0487	0.0485
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0421	0.0487	0.0485
Mycobacterium tuberculosis	DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.0421	0.0487	1
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.0421	0.0487	0.1104
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0002	0.0002
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.7567	1	1
Schistosoma mansoni	hypothetical protein	0.0057	0.0002	0.0002
Trypanosoma brucei	Heat shock protein 83, putative	0.0421	0.0487	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0002	0.0002
Leishmania major	pyruvate dehydrogenase (lipoamide) kinase, putative	0.2645	0.3448	0.3447
Mycobacterium ulcerans	two component system membrane associated sensor kinase	0.0421	0.0487	0.1893
Trypanosoma brucei	heat shock protein, putative	0.0421	0.0487	0.0485
Mycobacterium ulcerans	hypothetical protein	0.1981	0.2564	1
Trypanosoma brucei	pyruvate dehydrogenase (lipoamide) kinase, putative	0.2645	0.3448	0.3447
Schistosoma mansoni	hypothetical protein	0.0057	0.0002	0.0002
Mycobacterium tuberculosis	Two component sensor kinase MprB	0.0421	0.0487	1
Trypanosoma brucei	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0421	0.0487	0.0485
Mycobacterium ulcerans	DNA gyrase subunit B	0.0421	0.0487	0.1893
Mycobacterium ulcerans	sensor kinase from two component regulatory system	0.0421	0.0487	0.1893
Trypanosoma cruzi	Heat shock protein 83, putative	0.0421	0.0487	0.0485
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.1036	0.1036
Loa Loa (eye worm)	hypothetical protein	0.7567	1	1
Entamoeba histolytica	heat shock protein 90, putative	0.0421	0.0487	0.1893
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0118	0.0118
Onchocerca volvulus		0.3357	0.4396	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0421	0.0487	0.0485
Leishmania major	DNA topoisomerase ii	0.0421	0.0487	0.0485
Schistosoma mansoni	endoplasmin	0.0421	0.0487	0.0487
Giardia lamblia	Hypothetical protein	0.1981	0.2564	1
Loa Loa (eye worm)	hypothetical protein	0.3357	0.4396	0.4396
Loa Loa (eye worm)	TOPoisomerase family member	0.0421	0.0487	0.0487
Mycobacterium tuberculosis	Two component sensor kinase [second part]	0.0421	0.0487	1
Leishmania major	heat shock protein 83-1	0.0421	0.0487	0.0485
Toxoplasma gondii	heat shock protein HSP90	0.0421	0.0487	0.121
Echinococcus multilocularis	heat shock protein	0.0421	0.0487	0.0487
Mycobacterium tuberculosis	Two component sensory transduction histidine kinase MtrB	0.0421	0.0487	1
Trypanosoma brucei	heat shock protein, putative	0.0421	0.0487	0.0485
Schistosoma mansoni	pyruvate dehydrogenase	0.7146	0.944	0.944
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0002	0.0002
Schistosoma mansoni	phosphoglycerate mutase	0.0057	0.0002	0.0002
Trichomonas vaginalis	mismatch repair protein Mlh1C (mutL homolog)	0.0421	0.0487	1
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0057	0.0002	0.0002
Echinococcus multilocularis	p2X purinoceptor 4	0.0282	0.0302	0.0302
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3357	0.4396	0.4395
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.1981	0.2564	1
Schistosoma mansoni	endoplasmin	0.0421	0.0487	0.0487
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0421	0.0487	0.0485
Trichomonas vaginalis	endoplasmin, putative	0.0421	0.0487	1
Trichomonas vaginalis	receptor histidine kinase, putative	0.0421	0.0487	1
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.0421	0.0487	1
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.0421	0.0487	1
Echinococcus multilocularis	p2X purinoceptor 4	0.0282	0.0302	0.0302
Brugia malayi	Endoplasmin precursor	0.0421	0.0487	0.0487
Echinococcus multilocularis	heat shock protein 90	0.0421	0.0487	0.0487
Brugia malayi	Probable DNA topoisomerase II	0.0421	0.0487	0.0487
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0421	0.0487	0.0485
Trypanosoma cruzi	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0421	0.0487	0.0485
Trypanosoma brucei	heat shock protein 90, putative	0.0421	0.0487	0.0485
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3357	0.4396	0.4395
Leishmania major	heat shock protein 83-1	0.0421	0.0487	0.0485
Trypanosoma brucei	heat shock protein, putative	0.0421	0.0487	0.0485
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0421	0.0487	0.1104
Leishmania major	heat shock protein 83-1	0.0421	0.0487	0.0485
Plasmodium vivax	DNA topoisomerase II, putative	0.0421	0.0487	1
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.013	0.0099	0.0099
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0421	0.0487	1
Mycobacterium tuberculosis	Two component sensor histidine kinase PrrB	0.0421	0.0487	1
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.1981	0.2564	1
Mycobacterium leprae	Probable two component sensor kinase MprB	0.0421	0.0487	1
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.013	0.0099	0.0099
Plasmodium vivax	endoplasmin, putative	0.0421	0.0487	1
Schistosoma mansoni	P2X receptor subunit	0.0282	0.0302	0.0302
Trypanosoma brucei	heat shock protein, putative	0.0421	0.0487	0.0485
Loa Loa (eye worm)	hypothetical protein	0.1925	0.2489	0.2489
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0421	0.0487	0.121
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0421	0.0487	0.0487
Leishmania major	heat shock protein 83-1	0.0421	0.0487	0.0485
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0057	0.0002	0.0002
Mycobacterium tuberculosis	Two component sensor histidine kinase DosT	0.0421	0.0487	1
Leishmania major	heat shock protein 83-1	0.0421	0.0487	0.0485
Echinococcus multilocularis	phosphoglycerate mutase	0.0057	0.0002	0.0002
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.3357	0.4396	0.4396
Trypanosoma cruzi	heat shock protein 90, putative	0.0421	0.0487	0.0485
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0421	0.0487	0.0487
Echinococcus multilocularis	phosphoglycerate mutase	0.0057	0.0002	0.0002
Trichomonas vaginalis	heat shock protein, putative	0.0421	0.0487	1
Mycobacterium tuberculosis	Possible two component system response sensor kinase membrane associated PhoR	0.0421	0.0487	1
Trypanosoma brucei	developmentally regulated phosphoprotein	0.7567	1	1
Mycobacterium tuberculosis	Two component sensor histidine kinase TrcS	0.0421	0.0487	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0421	0.0487	0.0485
Echinococcus granulosus	phosphoglycerate mutase	0.0057	0.0002	0.0002
Leishmania major	heat shock protein 83-1	0.0421	0.0487	0.0485
Trypanosoma brucei	heat shock protein, putative	0.0421	0.0487	0.0485
Echinococcus multilocularis	phosphoglycerate mutase	0.0057	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.013	0.0099	0.0099
Trypanosoma brucei	DNA topoisomerase ii	0.0421	0.0487	0.0485
Loa Loa (eye worm)	hypothetical protein	0.33	0.432	0.432
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0421	0.0487	0.1104
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3357	0.4396	0.4395
Schistosoma mansoni	pyruvate dehydrogenase	0.7146	0.944	0.944
Mycobacterium ulcerans	two component sensor histidine kinase TrcS	0.0421	0.0487	0.1893
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1432	0.1833	0.1832
Mycobacterium tuberculosis	Probable sensor protein KdpD	0.0421	0.0487	1
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0421	0.0487	0.0487
Plasmodium falciparum	DNA gyrase subunit B	0.0421	0.0487	1
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0421	0.0487	0.0485
Brugia malayi	UBASH3A protein homolog	0.0057	0.0002	0.0002
Brugia malayi	MH2 domain containing protein	0.0144	0.0118	0.0118
Leishmania major	heat shock protein 83-1	0.0421	0.0487	0.0485
Brugia malayi	phosphoglycerate mutase family protein	0.0057	0.0002	0.0002
Wolbachia endosymbiont of Brugia malayi	signal transduction histidine kinase and receiver	0.0421	0.0487	0.5
Loa Loa (eye worm)	hypothetical protein	0.013	0.0099	0.0099
Trichomonas vaginalis	two component sensor and regulator histidine kinase bacteria, putative	0.0421	0.0487	1
Trypanosoma brucei	heat shock protein 90, putative	0.0421	0.0487	0.0485
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	0.7567	1	1
Wolbachia endosymbiont of Brugia malayi	membrane associated signal transduction histidine kinase	0.0421	0.0487	0.5
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.0421	0.0487	0.5
Chlamydia trachomatis	DNA gyrase subunit B	0.0421	0.0487	1
Mycobacterium leprae	TWO COMPONENT SENSOR HISTIDINE KINASE PRRB	0.0421	0.0487	1
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.7567	1	1
Echinococcus multilocularis	phosphoglycerate mutase	0.0057	0.0002	0.0002
Trypanosoma cruzi	heat shock protein 90, putative	0.0421	0.0487	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0421	0.0487	0.0487
Schistosoma mansoni	hypothetical protein	0.0057	0.0002	0.0002
Schistosoma mansoni	hypothetical protein	0.0057	0.0002	0.0002
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.33	0.432	0.4319
Leishmania major	heat shock protein 83-1	0.0421	0.0487	0.0485
Schistosoma mansoni	heat shock protein	0.0421	0.0487	0.0487
Mycobacterium leprae	Probable two-component sensor kinase	0.0421	0.0487	1
Chlamydia trachomatis	DNA gyrase subunit B	0.0421	0.0487	1
Mycobacterium ulcerans	putative regultory protein	0.0421	0.0487	0.1893
Schistosoma mansoni	serine/threonine protein kinase	0.0132	0.0102	0.0102
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0421	0.0487	1
Trypanosoma brucei	heat shock protein, putative	0.0421	0.0487	0.0485
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.7567	1	1
Mycobacterium leprae	PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3	0.0421	0.0487	1
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.33	0.432	0.4319
Leishmania major	heat shock protein 83-1	0.0421	0.0487	0.0485
Mycobacterium tuberculosis	Possible two component sensor kinase TcrY	0.0421	0.0487	1
Schistosoma mansoni	hypothetical protein	0.0057	0.0002	0.0002
Mycobacterium ulcerans	two component sensor histidine kinase PrrB	0.0421	0.0487	0.1893
Echinococcus granulosus	6 phosphofructo 2 kinase:fructose 2	0.3357	0.4396	0.4396
Echinococcus granulosus	phosphoglycerate mutase	0.0057	0.0002	0.0002
Echinococcus granulosus	p2X purinoceptor 4	0.0282	0.0302	0.0302
Plasmodium falciparum	DNA topoisomerase VI, b subunit, putative	0.0421	0.0487	1
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.1036	0.1036
Toxoplasma gondii	pyruvate dehydrogenase kinase, putative	0.2645	0.3448	0.8601
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.3066	0.4008	1
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0421	0.0487	0.121
Trypanosoma brucei	heat shock protein, putative	0.0421	0.0487	0.0485
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0057	0.0002	0.0002
Leishmania major	heat shock protein 83-1	0.0421	0.0487	0.0485
Echinococcus multilocularis	phosphoglycerate mutase	0.0057	0.0002	0.0002
Echinococcus granulosus	phosphoglycerate mutase	0.0057	0.0002	0.0002
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0057	0.0002	0.0002
Schistosoma mansoni	hypothetical protein	0.0057	0.0002	0.0002

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7079 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	= 5.0119 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.3753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	112.2018 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1540162

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1382698