TDR Targets

Basic information

Technical information

TDR Targets ID: 208876
Name: 6-imidazol-1-yl-2-[5-[4-(2-methoxyphenyl)pipe razin-1-yl]pentyl]pyridazin-3-one
MW: 422.523 | Formula: C23H30N6O2
H donors: 0 H acceptors: 2 LogP: 2.31 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1N1CCN(CC1)CCCCCn1nc(ccc1=O)n1cncc1
InChi: 1S/C23H30N6O2/c1-31-21-8-4-3-7-20(21)27-17-15-26(16-18-27)12-5-2-6-13-29-23(30)10-9-22(25-29)28-14-11-24-19-28/h3-4,7-11,14,19H,2,5-6,12-13,15-18H2,1H3
InChiKey: DAVIACKCTYBKPV-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

6-(1-imidazolyl)-2-[5-[4-(2-methoxyphenyl)-1-piperazinyl]pentyl]-3-pyridazinone
6-imidazol-1-yl-2-[5-[4-(2-methoxyphenyl)piperazino]pentyl]pyridazin-3-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Adrenergic receptor alpha-2	Starlite/ChEMBL	References
Rattus norvegicus	Serotonin 1a (5-HT1a) receptor	Starlite/ChEMBL	References
Rattus norvegicus	Adrenergic receptor alpha-1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus granulosus	biogenic amine 5HT receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	Octopamine receptor, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma mansoni	biogenic amine (5HT) receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus		Adrenergic receptor alpha-2	450 aa	467 aa	25.1 %
Schistosoma japonicum	Octopamine receptor 1, putative	Serotonin 1a (5-HT1a) receptor	422 aa	424 aa	24.3 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	426 aa	29.6 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1a (5-HT1a) receptor	422 aa	392 aa	20.7 %
Echinococcus multilocularis	orexin receptor type 2	Serotonin 1a (5-HT1a) receptor	422 aa	369 aa	22.2 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.4 %
Echinococcus granulosus	alpha 1A adrenergic receptor	Serotonin 1a (5-HT1a) receptor	422 aa	452 aa	21.0 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1a (5-HT1a) receptor	422 aa	417 aa	21.1 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	433 aa	22.4 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Adrenergic receptor alpha-2	450 aa	473 aa	24.1 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	436 aa	23.9 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	390 aa	33.6 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	24.3 %
Echinococcus granulosus	biogenic amine 5HT receptor	Adrenergic receptor alpha-2	450 aa	423 aa	31.7 %
Loa Loa (eye worm)	TYRA-2 protein	Serotonin 1a (5-HT1a) receptor	422 aa	491 aa	27.3 %
Echinococcus multilocularis	alpha 1A adrenergic receptor	Adrenergic receptor alpha-2	450 aa	478 aa	20.7 %
Echinococcus multilocularis	neuropeptides capa receptor	Serotonin 1a (5-HT1a) receptor	422 aa	430 aa	20.0 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Serotonin 1a (5-HT1a) receptor	422 aa	383 aa	30.5 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.6 %
Echinococcus granulosus	orexin receptor type 2	Serotonin 1a (5-HT1a) receptor	422 aa	369 aa	22.0 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Serotonin 1a (5-HT1a) receptor	422 aa	410 aa	27.8 %
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Serotonin 1a (5-HT1a) receptor	422 aa	339 aa	23.0 %
Schistosoma mansoni	amine GPCR	Serotonin 1a (5-HT1a) receptor	422 aa	440 aa	31.6 %
Onchocerca volvulus	Glycoprotein hormone beta 5 homolog	Serotonin 1a (5-HT1a) receptor	422 aa	477 aa	24.3 %
Echinococcus multilocularis	serotonin receptor	Adrenergic receptor alpha-2	450 aa	426 aa	31.9 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Serotonin 1a (5-HT1a) receptor	422 aa	444 aa	29.3 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Serotonin 1a (5-HT1a) receptor	422 aa	448 aa	29.7 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Adrenergic receptor alpha-2	450 aa	433 aa	27.9 %
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	Serotonin 1a (5-HT1a) receptor	422 aa	350 aa	20.6 %
Loa Loa (eye worm)	hypothetical protein	Serotonin 1a (5-HT1a) receptor	422 aa	388 aa	26.5 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	407 aa	23.3 %
Echinococcus multilocularis	fmrfamide receptor	Adrenergic receptor alpha-2	450 aa	366 aa	19.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	aldo-keto reductase, putative	0.2664	1	1
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0772	0.2438	0.2438
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.2664	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.2664	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2664	1	1
Trypanosoma brucei	aldo-keto reductase, putative	0.2664	1	1
Echinococcus multilocularis	aldo keto reductase	0.2664	1	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.2664	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.2664	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2664	1	1
Trypanosoma brucei	prostaglandin f synthase	0.2664	1	1
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0772	0.2438	0.2438
Onchocerca volvulus		0.2664	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2664	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.2664	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.2664	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.2664	1	1
Leishmania major	aldo-keto reductase-like protein	0.2664	1	1
Entamoeba histolytica	aldose reductase, putative	0.2664	1	1
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0772	0.2438	0.5
Loa Loa (eye worm)	hypothetical protein	0.2664	1	1
Onchocerca volvulus		0.2664	1	1
Schistosoma mansoni	pol-related	0.2664	1	1
Loa Loa (eye worm)	oxidoreductase	0.2664	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.2664	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.2664	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2664	1	1
Plasmodium falciparum	aldehyde reductase, putative	0.0772	0.2438	0.5
Trichomonas vaginalis	aldo-keto reductase, putative	0.2664	1	1
Mycobacterium leprae	Conserved hypothetical protein	0.1892	0.6917	0.5922
Onchocerca volvulus		0.2664	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.2664	1	1
Entamoeba histolytica	aldose reductase, putative	0.2664	1	1
Schistosoma mansoni	potassium channel beta	0.0772	0.2438	0.2438
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2664	1	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.2664	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.2664	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2664	1	1
Leishmania major	prostaglandin f synthase, putative	0.2664	1	1
Echinococcus granulosus	aldo keto reductase	0.2664	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.2664	1	1
Echinococcus granulosus	aldo keto reductase	0.2664	1	1
Echinococcus granulosus	aldo keto reductase	0.2664	1	1
Giardia lamblia	Aldose reductase	0.2664	1	0.5
Loa Loa (eye worm)	oxidoreductase	0.2664	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.2664	1	1
Mycobacterium ulcerans	oxidoreductase	0.2664	1	1
Echinococcus multilocularis	aldehyde reductase	0.1892	0.6917	0.6917
Echinococcus multilocularis	aldo keto reductase	0.2664	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.2664	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.2664	1	1
Trypanosoma cruzi	aldo-keto reductase	0.2664	1	1
Toxoplasma gondii	aldose reductase, putative	0.2664	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.2664	1	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.2664	1	1
Echinococcus granulosus	aldehyde reductase	0.1892	0.6917	0.6917
Onchocerca volvulus		0.2664	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.2664	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.2664	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2664	1	1
Loa Loa (eye worm)	oxidoreductase	0.2664	1	1
Echinococcus multilocularis	aldo keto reductase	0.2664	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.2664	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2664	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2664	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.2664	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2664	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.2664	1	1
Plasmodium vivax	aldehyde reductase, putative	0.0772	0.2438	0.5
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.2664	1	1
Onchocerca volvulus		0.2664	1	1
Echinococcus granulosus	hypothetical protein	0.2664	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.2664	1	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0772	0.2438	0.5
Trichomonas vaginalis	aldo-keto reductase, putative	0.2664	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.2664	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.2664	1	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.2664	1	1
Schistosoma mansoni	aldo-keto reductase	0.2664	1	1
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0772	0.2438	0.2438
Loa Loa (eye worm)	oxidoreductase	0.2664	1	1
Entamoeba histolytica	aldose reductase, putative	0.2664	1	1
Echinococcus granulosus	voltage gated potassium channel subunit	0.0772	0.2438	0.2438
Schistosoma mansoni	aldo-keto reductase	0.2664	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.2664	1	1
Echinococcus multilocularis	aldo keto reductase	0.2664	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.2664	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.2664	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.2664	1	1
Loa Loa (eye worm)	oxidoreductase	0.2664	1	1
Giardia lamblia	Aldose reductase	0.2664	1	0.5
Onchocerca volvulus		0.2664	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.2664	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 37.5 nM	Binding affinity against Alpha-1 adrenergic receptor by displacing [3H]-prazosin radioligand in rat cortex membrane	ChEMBL.	12166933
Ki (binding)	= 37.5 nM	Binding affinity against Alpha-1 adrenergic receptor by displacing [3H]-prazosin radioligand in rat cortex membrane	ChEMBL.	12166933
Ki (binding)	= 223 nM	Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane	ChEMBL.	12166933
Ki (binding)	= 223 nM	Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane	ChEMBL.	12166933
Ki (binding)	= 427 nM	Binding affinity against Alpha-2 adrenergic receptor by displacing [3H]-rauwolscine radioligand in rat cortex membrane	ChEMBL.	12166933
Ki (binding)	= 427 nM	Binding affinity against Alpha-2 adrenergic receptor by displacing [3H]-rauwolscine radioligand in rat cortex membrane	ChEMBL.	12166933

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: CHEMBL120331
PubChem: 11133628

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 208876