TDR Targets

Basic information

Technical information

TDR Targets ID: 20760
Name: N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl ]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-ca rboxamide
MW: 450.51 | Formula: C23H22N4O4S
H donors: 2 H acceptors: 3 LogP: 2.48 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1sc(nc1c1ccc(cc1)OC)CNC(=O)C1=NNC(=O)CC1
InChi: 1S/C23H22N4O4S/c1-30-16-7-3-14(4-8-16)21-22(15-5-9-17(31-2)10-6-15)32-20(25-21)13-24-23(29)18-11-12-19(28)27-26-18/h3-10H,11-13H2,1-2H3,(H,24,29)(H,27,28)
InChiKey: VAUYHJTYTYEXGI-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

N-[[4,5-bis(4-methoxyphenyl)thiazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
N-[[4,5-bis(4-methoxyphenyl)-2-thiazolyl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
N-[[4,5-bis(4-methoxyphenyl)thiazol-2-yl]methyl]-6-keto-4,5-dihydro-1H-pyridazine-3-carboxamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	aldo-keto reductase, putative	0.0362	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0362	1	1
Schistosoma mansoni	aldo-keto reductase	0.0362	1	1
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0105	0.2269	0.2269
Mycobacterium tuberculosis	Probable oxidoreductase	0.0362	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0362	1	1
Onchocerca volvulus		0.0362	1	1
Echinococcus granulosus	aldo keto reductase	0.0362	1	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0041	0.0363	0.0363
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0363	0.016
Echinococcus granulosus	aldo keto reductase	0.0362	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0362	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0362	1	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0227	0.5945	0.5945
Trichomonas vaginalis	aldo-keto reductase, putative	0.0105	0.2269	0.2107
Loa Loa (eye worm)	inositol-1	0.0036	0.0206	0.0206
Trichomonas vaginalis	aldo-keto reductase, putative	0.0362	1	1
Echinococcus multilocularis	expressed conserved protein	0.0091	0.1844	0.1844
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0362	1	1
Onchocerca volvulus		0.0362	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0518	0.0518
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0206	0.0206
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0362	1	1
Echinococcus granulosus	voltage gated potassium channel subunit	0.0105	0.2269	0.2269
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0362	1	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0362	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0105	0.2269	0.2107
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0362	1	1
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0206	0.0206
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0098	0.2065	0.2065
Echinococcus multilocularis	aldo keto reductase	0.0362	1	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0105	0.2269	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0362	1	1
Giardia lamblia	Aldose reductase	0.0362	1	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0362	1	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.2772	0.2772
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0518	0.0518
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0518	0.0518
Schistosoma mansoni	hypothetical protein	0.0314	0.8541	0.8541
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0362	1	1
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0105	0.2269	0.2269
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0362	1	1
Echinococcus granulosus	snurportin 1	0.0314	0.8541	0.8541
Schistosoma mansoni	hypothetical protein	0.004	0.0318	0.0318
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0362	1	1
Echinococcus multilocularis	aldo keto reductase	0.0362	1	1
Leishmania major	prostaglandin f synthase, putative	0.0362	1	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0206	0.0206
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.0206	0.0206
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0362	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0362	1	1
Echinococcus granulosus	aldo keto reductase	0.0362	1	1
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0206	0.0206
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0362	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0362	1	1
Giardia lamblia	Aldose reductase	0.0362	1	0.5
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0105	0.2269	0.2107
Trichomonas vaginalis	aldo/keto reductase, putative	0.0362	1	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0097	0.202	0.202
Onchocerca volvulus		0.0362	1	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.202	0.202
Trichomonas vaginalis	aldo-keto reductase, putative	0.0362	1	1
Echinococcus granulosus	hypothetical protein	0.0362	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0362	1	1
Brugia malayi	follicle stimulating hormone receptor	0.0227	0.5945	0.5945
Trichomonas vaginalis	aldo-keto reductase, putative	0.0362	1	1
Trypanosoma brucei	aldo/keto reductase, putative	0.0105	0.2269	0.2269
Brugia malayi	NADH-dependent xylose reductase	0.0105	0.2269	0.2269
Schistosoma mansoni	potassium channel beta	0.0105	0.2269	0.2269
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0362	1	1
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0105	0.2269	0.2107
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0518	0.0518
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0105	0.2269	0.2107
Toxoplasma gondii	aldose reductase, putative	0.0362	1	1
Mycobacterium ulcerans	oxidoreductase	0.0362	1	1
Loa Loa (eye worm)	hypothetical protein	0.0362	1	1
Brugia malayi	CHE-14 protein	0.0041	0.0363	0.0363
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0105	0.2269	0.2269
Echinococcus multilocularis	aldo keto reductase	0.0362	1	1
Entamoeba histolytica	aldose reductase, putative	0.0362	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0105	0.2269	0.2107
Trypanosoma cruzi	aldo-keto reductase	0.0362	1	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0206	0.5
Loa Loa (eye worm)	oxidoreductase	0.0362	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0362	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0518	0.0518
Echinococcus multilocularis	protein dispatched 1	0.0047	0.0539	0.0539
Trichomonas vaginalis	aldo-keto reductase, putative	0.0362	1	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0041	0.0363	0.0363
Onchocerca volvulus		0.0362	1	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0314	0.8541	0.8541
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0097	0.202	0.1852
Trichomonas vaginalis	aldo-keto reductase, putative	0.0362	1	1
Brugia malayi	Inositol-1	0.0036	0.0206	0.0206
Mycobacterium ulcerans	hypothetical protein	0.0105	0.2269	0.2107
Toxoplasma gondii	aldo-keto reductase	0.0105	0.2269	0.2269
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0362	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0362	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0362	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0362	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0362	1	1
Echinococcus granulosus	aldehyde reductase	0.0257	0.6848	0.6848
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0105	0.2269	0.2269
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.2772	0.2772
Trypanosoma cruzi	aldo/keto reductase, putative	0.0105	0.2269	0.2107
Schistosoma mansoni	hypothetical protein	0.004	0.0318	0.0318
Mycobacterium leprae	Conserved hypothetical protein	0.0257	0.6848	0.6818
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0105	0.2269	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0518	0.0518
Echinococcus multilocularis	aldo keto reductase	0.0362	1	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0362	1	1
Entamoeba histolytica	aldose reductase, putative	0.0362	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0362	1	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0138	0.3265	0.3265
Echinococcus granulosus	Protein patched homolog 1	0.0041	0.0363	0.0363
Schistosoma mansoni	pol-related	0.0362	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0518	0.0518
Echinococcus multilocularis	aldehyde reductase	0.0257	0.6848	0.6848
Loa Loa (eye worm)	oxidoreductase	0.0362	1	1
Schistosoma mansoni	patched 1	0.0041	0.0363	0.0363
Echinococcus granulosus	Niemann Pick C1 protein	0.0097	0.202	0.202
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0518	0.0518
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0362	1	1
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0105	0.2269	0.2269
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0518	0.0518
Loa Loa (eye worm)	oxidoreductase	0.0362	1	1
Mycobacterium tuberculosis	Conserved protein	0.0105	0.2269	0.2198
Loa Loa (eye worm)	oxidoreductase	0.0362	1	1
Echinococcus multilocularis	protein patched	0.0041	0.0363	0.0363
Trichomonas vaginalis	aldo/keto reductase, putative	0.0362	1	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0138	0.3265	0.3265
Brugia malayi	MH2 domain containing protein	0.0122	0.2772	0.2772
Plasmodium falciparum	aldehyde reductase, putative	0.0105	0.2269	1
Onchocerca volvulus		0.0362	1	1
Schistosoma mansoni	hypothetical protein	0.004	0.0318	0.0318
Entamoeba histolytica	aldose reductase, putative	0.0362	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0362	1	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0041	0.0363	0.0363
Trichomonas vaginalis	aldo-keto reductase, putative	0.0362	1	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0363	0.0363
Brugia malayi	Niemann-Pick C1 protein precursor	0.0097	0.202	0.202
Trichomonas vaginalis	aldo-keto reductase, putative	0.0362	1	1
Schistosoma mansoni	aldo-keto reductase	0.0362	1	1
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0206	0.0206
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0362	1	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0643	0.0643
Schistosoma mansoni	hypothetical protein	0.004	0.0318	0.0318
Echinococcus granulosus	expressed conserved protein	0.0091	0.1844	0.1844
Loa Loa (eye worm)	oxidoreductase	0.0362	1	1
Plasmodium vivax	aldehyde reductase, putative	0.0105	0.2269	1
Brugia malayi	RNA, U transporter 1	0.0084	0.1628	0.1628
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0105	0.2269	0.2107
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0362	1	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0362	1	1
Echinococcus multilocularis	snurportin 1	0.0314	0.8541	0.8541
Trypanosoma brucei	prostaglandin f synthase	0.0362	1	1
Mycobacterium leprae	Possible oxidoreductase	0.0105	0.2269	0.2198
Leishmania major	aldo-keto reductase-like protein	0.0362	1	1
Onchocerca volvulus		0.0362	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0362	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0362	1	1
Trypanosoma brucei	aldo-keto reductase, putative	0.0362	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0105	0.2269	0.2107
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0105	0.2269	0.2269

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 7.3 uM	In vitro vasodilatory activity in isolated rat aorta	ChEMBL.	8164261
IC50 (functional)	= 0.055 uM	In vitro antiplatelet activity against arachidonic acid induced malondialdehyde production	ChEMBL.	8164261
Inhibition (functional)	= 84.3 %	Inhibitory effect of the compound on platelet aggregation induced by Collagen in guinea pigs ex vivo at a dose of 1 mg/Kg after 6 hr of oral administration	ChEMBL.	8164261
Inhibition (functional)	= 94.1 %	Inhibitory effect of the compound on platelet aggregation induced by Collagen in guinea pigs ex vivo at a dose of 3.2 mg/Kg after 6 hr of oral administration	ChEMBL.	8164261
Inhibition (functional)	= 100 %	Inhibitory effect of the compound on platelet aggregation induced by Arachidonic acid (AA) in guinea pigs ex vivo at a dose of 3.2 mg/Kg after 6 hr of oral administration	ChEMBL.	8164261
Inhibition (functional)	= 100 %	Inhibitory effect of the compound on platelet aggregation induced by Arachidonic acid (AA) in guinea pigs ex vivo at a dose of 1 mg/Kg after 6 hr of oral administration	ChEMBL.	8164261

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: CHEMBL277814
PubChem: 10253234

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 20760