TDR Targets

Basic information

Technical information

TDR Targets ID: 236258
Name: N-[[(4Z)-2-(hydroxymethyl)-4-[5-methyl-3-(2-m ethylpropyl)hexylidene]-5-oxooxolan-2-yl]meth yl]-2,2-dimethylpropanamide
MW: 381.549 | Formula: C22H39NO4
H donors: 2 H acceptors: 3 LogP: 4.8 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: OCC1(CNC(=O)C(C)(C)C)OC(=O)/C(=C\CC(CC(C)C)CC(C)C)/C1
InChi: 1S/C22H39NO4/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(14-24,27-19(18)25)13-23-20(26)21(5,6)7/h9,15-17,24H,8,10-14H2,1-7H3,(H,23,26)/b18-9-
InChiKey: PJJRMXRGGIQBSQ-NVMNQCDNSA-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

N-[[(4Z)-2-(hydroxymethyl)-4-(3-isobutyl-5-methyl-hexylidene)-5-oxo-tetrahydrofuran-2-yl]methyl]-2,2-dimethyl-propanamide
N-[[(4Z)-2-(hydroxymethyl)-4-(3-isobutyl-5-methylhexylidene)-5-oxo-2-tetrahydrofuranyl]methyl]-2,2-dimethylpropanamide
N-[[(4Z)-2-(hydroxymethyl)-4-[5-methyl-3-(2-methylpropyl)hexylidene]-5-oxo-oxolan-2-yl]methyl]-2,2-dimethyl-propanamide
N-[[(4Z)-4-(3-isobutyl-5-methyl-hexylidene)-5-keto-2-methylol-tetrahydrofuran-2-yl]methyl]-2,2-dimethyl-propionamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	protein kinase C, alpha	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	IPR000477,RNA-directed DNA polymerase (Reverse transcriptase),domain-containing	Get druggable targets OG5_129482	All targets in OG5_129482
Echinococcus multilocularis	Protein kinase C, brain isozyme	Get druggable targets OG5_129482	All targets in OG5_129482
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129482	All targets in OG5_129482
Candida albicans	protein kinase C similar to S. cerevisiae PKC1 (YBL105C)	Get druggable targets OG5_129482	All targets in OG5_129482
Echinococcus multilocularis	telomerase reverse transcriptase subunit	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma japonicum	Protein kinase C alpha type, putative	Get druggable targets OG5_129482	All targets in OG5_129482
Echinococcus multilocularis	RNA directed DNA polymerase	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma japonicum	Calcium-dependent protein kinase C, putative	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma japonicum	Protein kinase C gamma type, putative	Get druggable targets OG5_129482	All targets in OG5_129482
Echinococcus granulosus	Protein kinase C brain isozyme	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_129482	All targets in OG5_129482
Echinococcus granulosus	RNA directed DNA polymerase	Get druggable targets OG5_129482	All targets in OG5_129482
Echinococcus granulosus	protein kinase C gamma type	Get druggable targets OG5_129482	All targets in OG5_129482
Echinococcus multilocularis	serine threonine protein kinase	Get druggable targets OG5_129482	All targets in OG5_129482
Brugia malayi	Protein kinase c protein 2	Get druggable targets OG5_129482	All targets in OG5_129482
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129482	All targets in OG5_129482
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma japonicum	Protein kinase C alpha type, putative	Get druggable targets OG5_129482	All targets in OG5_129482
Candida albicans	protein kinase C similar to S. cerevisiae PKC1 (YBL105C)	Get druggable targets OG5_129482	All targets in OG5_129482

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
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.1287	1	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0607	0.4637	0.4637
Loa Loa (eye worm)	hypothetical protein	0.068	0.5212	0.5212
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.1287	1	1
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0067	0.0375	0.0375
Brugia malayi	hypothetical protein	0.0607	0.4637	0.4637
Loa Loa (eye worm)	hypothetical protein	0.068	0.5212	0.5212
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0166	0.1161	0.1161
Echinococcus granulosus	SNF4:AMP activated protein kinase gamma subunit	0.0024	0.0037	0.0037
Leishmania major	inosine-5-monophosphate dehydrogenase	0.0401	0.3007	1
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.021	0.1507	0.4951
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.1287	1	1
Loa Loa (eye worm)	hypothetical protein	0.1287	1	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0607	0.4637	0.4637
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.1287	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.068	0.5212	0.5212
Schistosoma mansoni	nuclear receptor nhr-48	0.0607	0.4637	0.4637
Brugia malayi	CBS domain containing protein	0.0024	0.0037	0.0037
Loa Loa (eye worm)	GMP reductase	0.0166	0.1161	0.1161
Echinococcus granulosus	ecdysone induced protein 78C	0.1287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0607	0.4637	0.4637
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.1287	1	1
Brugia malayi	ecdysone receptor	0.0607	0.4637	0.4637
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.1287	1	1
Brugia malayi	nuclear receptor NHR-88	0.1287	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.1287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0607	0.4637	0.4637
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.1287	1	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.1287	1	1
Brugia malayi	CLC chloride channel protein	0.0024	0.0037	0.0037
Schistosoma mansoni	chloride channel protein	0.0024	0.0037	0.0037
Brugia malayi	tailless protein	0.0607	0.4637	0.4637
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0037	0.0037
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0607	0.4637	0.4637
Echinococcus granulosus	inosine 5' monophosphate dehydrogenase 2	0.0401	0.3007	0.3007
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.1287	1	1
Loa Loa (eye worm)	DR-78	0.0607	0.4637	0.4637
Brugia malayi	nuclear hormone receptor	0.0607	0.4637	0.4637
Loa Loa (eye worm)	hypothetical protein	0.0607	0.4637	0.4637
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0607	0.4637	0.4637
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0607	0.4637	0.4637
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.1287	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0607	0.4637	0.4637
Loa Loa (eye worm)	hypothetical protein	0.1287	1	1
Mycobacterium leprae	PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD)	0.019	0.1349	0.4418
Echinococcus granulosus	RNA directed DNA polymerase	0.0048	0.0225	0.0225
Loa Loa (eye worm)	chloride channel 3	0.0024	0.0037	0.0037
Schistosoma mansoni	protein kinase subunit gamma	0.0024	0.0037	0.0037
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0607	0.4637	0.4637
Echinococcus granulosus	H:Cl exchange transporter 4	0.0024	0.0037	0.0037
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0607	0.4637	0.4637
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.1287	1	1
Schistosoma mansoni	zinc finger protein	0.0607	0.4637	0.4637
Brugia malayi	Nuclear hormone receptor-like 1	0.068	0.5212	0.5212
Echinococcus multilocularis	H(+):Cl() exchange transporter 3	0.0024	0.0037	0.0037
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.1287	1	1
Trypanosoma cruzi	GMP reductase	0.0401	0.3007	1
Loa Loa (eye worm)	hypothetical protein	0.1287	1	1
Loa Loa (eye worm)	hypothetical protein	0.068	0.5212	0.5212
Echinococcus granulosus	FTZ F1 alpha	0.1287	1	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0607	0.4637	0.4637
Loa Loa (eye worm)	hypothetical protein	0.0607	0.4637	0.4637
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0607	0.4637	0.4637
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0048	0.0225	0.0225
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.1287	1	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0607	0.4637	0.4637
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.1287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0607	0.4637	0.4637
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.1287	1	1
Echinococcus granulosus	protein kinase C gamma type	0.0059	0.0318	0.0318
Mycobacterium ulcerans	inosine 5'-monophosphate dehydrogenase	0.0401	0.3007	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.1287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0607	0.4637	0.4637
Echinococcus granulosus	5' AMP activated protein kinase subunit gamma	0.0024	0.0037	0.0037
Brugia malayi	conserved hypotetical protein	0.0607	0.4637	0.4637
Schistosoma mansoni	AMP-activated protein kinase gamma regulatory subunit	0.0024	0.0037	0.0037
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.1287	1	1
Schistosoma mansoni	inosine-5-monophosphate dehydrogenase	0.0401	0.3007	0.3007
Brugia malayi	nuclear receptor RXR	0.068	0.5212	0.5212
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.068	0.5212	0.5212
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.1287	1	1
Brugia malayi	loechrig isoform VII	0.0024	0.0037	0.0037
Echinococcus multilocularis	inosine 5' monophosphate dehydrogenase 2	0.0401	0.3007	0.3007
Trypanosoma brucei	inosine-5'-monophosphate dehydrogenase	0.0401	0.3007	1
Loa Loa (eye worm)	steroid hormone receptor	0.1287	1	1
Echinococcus multilocularis	RNA directed DNA polymerase	0.0048	0.0225	0.0225
Chlamydia trachomatis	CBS domain-containing protein	0.0024	0.0037	0.5
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0225	0.0225
Loa Loa (eye worm)	hypothetical protein	0.068	0.5212	0.5212
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.1287	1	1
Brugia malayi	nuclear receptor NHR-88	0.0607	0.4637	0.4637
Loa Loa (eye worm)	hypothetical protein	0.1287	1	1
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0166	0.1161	0.1161
Schistosoma mansoni	coup transcription factor	0.1287	1	1
Loa Loa (eye worm)	hypothetical protein	0.068	0.5212	0.5212
Leishmania major	guanosine monophosphate reductase	0.0401	0.3007	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.1287	1	1
Schistosoma mansoni	chloride channel protein	0.0024	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.1287	1	1
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena	0.021	0.1507	0.4951
Loa Loa (eye worm)	hypothetical protein	0.0607	0.4637	0.4637
Schistosoma mansoni	nuclear receptor	0.0607	0.4637	0.4637
Onchocerca volvulus	Protein ultraspiracle homolog	0.1287	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.1287	1	1
Schistosoma mansoni	AMP-activated protein kinase gamma regulatory subunit	0.0024	0.0037	0.0037
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD)	0.0401	0.3007	1
Brugia malayi	nuclear hormone receptor	0.1287	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.1287	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.1287	1	1
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0377	0.282	0.9369
Echinococcus granulosus	H:Cl exchange transporter 7	0.0024	0.0037	0.0037
Toxoplasma gondii	IMP dehydrogenas	0.0401	0.3007	1
Onchocerca volvulus	Bile acid receptor homolog	0.1287	1	1
Brugia malayi	GMP reductase	0.0166	0.1161	0.1161
Loa Loa (eye worm)	loechrig isoform VII	0.0024	0.0037	0.0037
Giardia lamblia	Manganese-dependent inorganic pyrophosphatase, putative	0.0024	0.0037	0.5
Brugia malayi	chloride channel protein 7	0.0024	0.0037	0.0037
Loa Loa (eye worm)	chloride channel protein 7	0.0024	0.0037	0.0037
Echinococcus multilocularis	5' AMP activated protein kinase subunit gamma	0.0024	0.0037	0.0037
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0401	0.3007	1
Schistosoma mansoni	thyroid hormone receptor	0.1287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0607	0.4637	0.4637
Treponema pallidum	hemolysin (tlyC)	0.0024	0.0037	0.5
Loa Loa (eye worm)	hypothetical protein	0.1287	1	1
Treponema pallidum	Mg2+ transport protein (mgtE)	0.0024	0.0037	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.1287	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.1287	1	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0607	0.4637	0.4637
Chlamydia trachomatis	Mg++ transporter	0.0024	0.0037	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0607	0.4637	0.4637
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.1287	1	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.1287	1	1
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0401	0.3007	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.068	0.5212	0.5212
Schistosoma mansoni	serine/threonine protein kinase	0.0067	0.0375	0.0375
Schistosoma mansoni	thyroid hormone receptor	0.1287	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.1287	1	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0607	0.4637	0.4637
Echinococcus multilocularis	SNF4:AMP activated protein kinase gamma subunit	0.0024	0.0037	0.0037
Schistosoma mansoni	AMP-activated protein kinase gamma regulatory subunit	0.0024	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0607	0.4637	0.4637
Brugia malayi	Voltage gated chloride channel family protein	0.0024	0.0037	0.0037
Loa Loa (eye worm)	IMP dehydrogenase 1	0.0401	0.3007	0.3007
Echinococcus multilocularis	serine threonine protein kinase	0.0059	0.0318	0.0318
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0607	0.4637	0.4618
Plasmodium falciparum	inosine-5'-monophosphate dehydrogenase	0.0377	0.282	1
Loa Loa (eye worm)	hypothetical protein	0.0607	0.4637	0.4637
Brugia malayi	orphan nuclear receptor NR2E1	0.0607	0.4637	0.4637
Loa Loa (eye worm)	hypothetical protein	0.1287	1	1
Echinococcus granulosus	Protein kinase C brain isozyme	0.0067	0.0375	0.0375
Schistosoma mansoni	nuclear receptor	0.0607	0.4637	0.4637
Brugia malayi	hypothetical protein	0.0607	0.4637	0.4637
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.1287	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.1287	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0607	0.4637	0.4637
Echinococcus granulosus	AMP activated protein kinase gamma regulatory	0.0024	0.0037	0.0037
Echinococcus granulosus	thyroid hormone receptor alpha	0.0607	0.4637	0.4637
Schistosoma mansoni	retinoic acid receptor RXR	0.1287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0607	0.4637	0.4637
Schistosoma mansoni	RAR-like nuclear receptor	0.1287	1	1
Brugia malayi	steroid hormone receptor	0.1287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0037	0.0037
Schistosoma mansoni	chloride channel protein	0.0024	0.0037	0.0037
Brugia malayi	nuclear receptor NHR-67	0.0607	0.4637	0.4637
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0607	0.4637	0.4637
Echinococcus multilocularis	thyroid hormone receptor alpha	0.1287	1	1
Plasmodium vivax	inosine-5'-monophosphate dehydrogenase, putative	0.0377	0.282	0.5
Giardia lamblia	Manganese-dependent inorganic pyrophosphatase, putative	0.0024	0.0037	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0607	0.4637	0.4637
Giardia lamblia	Hypothetical protein	0.0024	0.0037	0.5
Brugia malayi	inosine-5'-monophosphate dehydrogenase family protein	0.0401	0.3007	0.3007
Onchocerca volvulus		0.1287	1	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0607	0.4637	0.4637
Brugia malayi	Steroid receptor seven-up type 2	0.1287	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0067	0.0375	0.0375
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.1287	1	1
Echinococcus multilocularis	H(+):Cl() exchange transporter 7	0.0024	0.0037	0.0037
Onchocerca volvulus	Putative GMP reductase	0.0166	0.1161	0.1129
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0607	0.4637	0.4637
Brugia malayi	Nuclear hormone receptor-like 1	0.068	0.5212	0.5212
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.1287	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.1287	1	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0607	0.4637	0.4637
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.1287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0037	0.0037
Onchocerca volvulus		0.0607	0.4637	0.4618
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0049	0.0238	0.0238
Wolbachia endosymbiont of Brugia malayi	IMP dehydrogenase	0.0401	0.3007	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.068	0.5212	0.5212
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.019	0.1349	0.4418
Brugia malayi	nuclear receptor RXR	0.0607	0.4637	0.4637
Echinococcus multilocularis	FTZ F1 alpha	0.1287	1	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.1287	1	1
Brugia malayi	Protein kinase c protein 2	0.0057	0.0296	0.0296
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0607	0.4637	0.4618
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0401	0.3007	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.1287	1	1
Echinococcus granulosus	H:Cl exchange transporter 3	0.0024	0.0037	0.0037
Brugia malayi	Nuclear hormone receptor E75	0.0607	0.4637	0.4637
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0401	0.3007	1
Trypanosoma cruzi	GMP reductase	0.0401	0.3007	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0282	0.0282
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.1287	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.1287	1	1
Brugia malayi	hypothetical protein	0.068	0.5212	0.5212
Chlamydia trachomatis	GutQ/KpsF family sugar-phosphate isomerase	0.0024	0.0037	0.5
Loa Loa (eye worm)	hypothetical protein	0.0607	0.4637	0.4637
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.068	0.5212	0.5212
Brugia malayi	hypothetical protein	0.068	0.5212	0.5212
Echinococcus multilocularis	nuclear receptor nhr 48	0.0607	0.4637	0.4637
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.1287	1	1
Loa Loa (eye worm)	hypothetical protein	0.0607	0.4637	0.4637
Onchocerca volvulus		0.0607	0.4637	0.4618
Loa Loa (eye worm)	hypothetical protein	0.1287	1	1
Trypanosoma brucei	GMP reductase	0.0401	0.3007	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0607	0.4637	0.4637
Brugia malayi	ancient conserved domain protein 4	0.0024	0.0037	0.0037
Brugia malayi	photoreceptor-specific nuclear receptor	0.1287	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.1287	1	1
Echinococcus multilocularis	H(+):Cl() exchange transporter 4	0.0024	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0037	0.0037
Schistosoma mansoni	nuclear hormone receptor	0.1287	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.1287	1	1
Brugia malayi	ancient conserved domain protein 2	0.0024	0.0037	0.0037
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.1287	1	1
Giardia lamblia	5-AMP-activated protein kinase, gamma-1 subunit	0.0024	0.0037	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 429.7 nM	Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)	ChEMBL.	11728178
Ki (binding)	= 429.7 nM	Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)	ChEMBL.	11728178
logP (ADMET)	= 3.95	Partition coefficient (logP)	ChEMBL.	11728178

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: CHEMBL136786
PubChem: 11068973

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 236258