TDR Targets

Basic information

Technical information

TDR Targets ID: 337775
Name: 3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one
MW: 232.235 | Formula: C12H12N2O3
H donors: 1 H acceptors: 3 LogP: 1.43 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1OC)c1ccc(nn1)O
InChi: 1S/C12H12N2O3/c1-16-10-5-3-8(7-11(10)17-2)9-4-6-12(15)14-13-9/h3-7H,1-2H3,(H,14,15)
InChiKey: ZHNHPPJSMFUHRS-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	phosphodiesterase 4D, cAMP-specific	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Neospora caninum	cAMP-specific phosphodiesterase, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	Get druggable targets OG5_128242	All targets in OG5_128242
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Cryptosporidium parvum	membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing	Get druggable targets OG5_128242	All targets in OG5_128242
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase 4C, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative	Get druggable targets OG5_128242	All targets in OG5_128242

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
Trichomonas vaginalis	CMGC family protein kinase	0.0069	0.0405	1
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.0189	0.4664
Trypanosoma brucei	protein kinase, putative	0.0059	0.0189	1
Schistosoma mansoni	serine/threonine protein kinase	0.0069	0.0405	0.1294
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.007	0.1723
Trypanosoma cruzi	cdc2-related kinase 1	0.0053	0.007	0.3693
Brugia malayi	Protein kinase domain containing protein	0.0053	0.007	0.007
Echinococcus granulosus	protein kinase shaggy	0.0059	0.0189	0.0603
Echinococcus granulosus	cyclin dependent kinase 5	0.0053	0.007	0.0223
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0098	0.1002	0.1002
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0098	0.1002	0.3202
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0053	0.007	0.3693
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0188	0.289	1
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0059	0.0189	1
Echinococcus granulosus	serine:threonine protein kinase mig 15	0.0098	0.1011	0.3232
Giardia lamblia	Kinase, CMGC GSK	0.0059	0.0189	0.1468
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0098	0.1002	0.1002
Entamoeba histolytica	protein kinase domain containing protein	0.0059	0.0189	0.0603
Brugia malayi	Protein kinase domain containing protein	0.0188	0.289	0.289
Echinococcus multilocularis	protein kinase shaggy	0.0059	0.0189	0.0603
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0112	0.1286	0.411
Echinococcus granulosus	rho-associated protein kinase 1	0.0173	0.2559	0.8181
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.007	0.0223
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0112	0.1286	0.411
Trypanosoma cruzi	cdc2-related kinase 1	0.0053	0.007	0.3693
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0188	0.289	0.9239
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0059	0.0189	0.0189
Echinococcus multilocularis	rho associated protein kinase	0.0173	0.2559	0.8181
Echinococcus multilocularis	CDC7 cell division cycle 7	0.0069	0.0405	0.1294
Onchocerca volvulus		0.0069	0.0405	0.0799
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0059	0.0189	1
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0188	0.289	0.289
Loa Loa (eye worm)	STE/STE20/MSN protein kinase	0.0073	0.0484	0.0484
Echinococcus multilocularis		0.0073	0.0484	0.1547
Plasmodium falciparum	protein kinase 5	0.0053	0.007	0.3693
Trypanosoma brucei	cdc2-related kinase 1	0.0053	0.007	0.3693
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0053	0.007	0.007
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0053	0.007	0.0223
Echinococcus multilocularis	cyclin dependent kinase 5	0.0053	0.007	0.0223
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0059	0.0189	1
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0059	0.0189	0.0603
Entamoeba histolytica	protein kinase domain containing protein	0.0059	0.0189	0.0603
Giardia lamblia	Kinase, CMGC CDK	0.0053	0.007	0.0542
Trichomonas vaginalis	CMGC family protein kinase	0.0069	0.0405	1
Giardia lamblia	Kinase, CMGC CDK	0.0053	0.007	0.0542
Echinococcus multilocularis	cyclin dependent kinase 1	0.0053	0.007	0.0223
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0053	0.007	0.3693
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0188	0.289	0.289
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0098	0.1002	0.3202
Entamoeba histolytica	cell division protein kinase 2, putative	0.0053	0.007	0.0223
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0053	0.007	0.0542
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0112	0.1286	0.411
Trichomonas vaginalis	CMGC family protein kinase	0.0069	0.0405	1
Schistosoma mansoni	protein kinase	0.0102	0.1093	0.3494
Brugia malayi	intracellular kinase	0.0059	0.0189	0.0189
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0112	0.1286	0.411
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0059	0.0189	0.0189
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0112	0.1286	1
Echinococcus granulosus	cyclin dependent kinase 1	0.0053	0.007	0.0223
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0053	0.007	0.007
Schistosoma mansoni	protein kinase	0.0073	0.0484	0.1547
Echinococcus granulosus	homeodomain interacting protein kinase 3	0.02	0.3128	1
Plasmodium falciparum	glycogen synthase kinase 3	0.0059	0.0189	1
Brugia malayi	probable protein kinase	0.0102	0.1093	0.1093
Plasmodium vivax	protein kinase Crk2	0.0053	0.007	0.3693
Trypanosoma cruzi	cdc2-related kinase 3	0.0053	0.007	0.3693
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.007	0.1723
Echinococcus multilocularis	cyclin dependent kinase	0.0053	0.007	0.0223
Giardia lamblia	Kinase, CDC7	0.0069	0.0405	0.3148
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0053	0.007	0.007
Trypanosoma cruzi	cdc2-related kinase 3	0.0053	0.007	0.3693
Echinococcus granulosus	CDC7 cell division cycle 7	0.0069	0.0405	0.1294
Schistosoma mansoni	serine/threonine protein kinase	0.0173	0.2559	0.8181
Onchocerca volvulus		0.0069	0.0405	0.0799
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0059	0.0189	0.1468
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.007	0.0223
Entamoeba histolytica	protein kinase, putative	0.0059	0.0189	0.0603
Brugia malayi	Protein kinase domain containing protein	0.0069	0.0405	0.0405
Giardia lamblia	Kinase, CMGC GSK	0.0059	0.0189	0.1468
Onchocerca volvulus		0.0173	0.2559	0.8775
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0059	0.0189	0.0603
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.007	0.1723
Loa Loa (eye worm)	CDC7 protein kinase	0.0069	0.0405	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1286	0.1286
Echinococcus granulosus	protein kinase	0.0073	0.0484	0.1547
Echinococcus granulosus	cyclin dependent kinase	0.0053	0.007	0.0223
Onchocerca volvulus		0.0169	0.2477	0.8471
Trypanosoma brucei	cdc2-related kinase 3	0.0053	0.007	0.3693
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0188	0.289	0.9239
Entamoeba histolytica	cell division protein kinase 2, putative	0.0053	0.007	0.0223
Echinococcus multilocularis	homeodomain interacting protein kinase 3	0.02	0.3128	1
Schistosoma mansoni	serine/threonine protein kinase	0.0188	0.289	0.9239
Entamoeba histolytica	protein kinase domain containing protein	0.02	0.3128	1
Brugia malayi	Homeodomain interacting protein kinase protein 1	0.02	0.3128	0.3128
Echinococcus multilocularis	cyclin dependent kinase 1	0.0053	0.007	0.0223
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.0528	1	1
Brugia malayi	cell division control protein 2 homolog	0.0053	0.007	0.007
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.0189	0.4664
Schistosoma mansoni	serine/threonine protein kinase	0.02	0.3128	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0112	0.1286	1
Loa Loa (eye worm)	CMGC/DYRK/HIPK protein kinase	0.02	0.3128	0.3128
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0188	0.289	0.289
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0112	0.1286	0.411
Loa Loa (eye worm)	hypothetical protein	0.0098	0.1011	0.1011
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0059	0.0189	0.0603

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2000 nM	In vitro inhibition of bovine smooth muscle phosphodiesterase 4	ChEMBL.	15916433
IC50 (binding)	= 2000 nM	In vitro inhibition of bovine smooth muscle phosphodiesterase 4	ChEMBL.	15916433

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

PubChem: 13136110

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 337775