Detailed information for compound 71979

Basic information

Technical information
  • TDR Targets ID: 71979
  • Name: 3-(4-imidazol-1-ylphenyl)-5,5-dimethyl-1,4-di hydropyridazin-6-one
  • MW: 268.314 | Formula: C15H16N4O
  • H donors: 1 H acceptors: 2 LogP: 1.6 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NN=C(CC1(C)C)c1ccc(cc1)n1cncc1
  • InChi: 1S/C15H16N4O/c1-15(2)9-13(17-18-14(15)20)11-3-5-12(6-4-11)19-8-7-16-10-19/h3-8,10H,9H2,1-2H3,(H,18,20)
  • InChiKey: IJJFIKUPWTYCCW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[4-(1-imidazolyl)phenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one
  • 6-(4-imidazol-1-ylphenyl)-4,4-dimethyl-2,5-dihydropyridazin-3-one
  • 6-[4-(1-imidazolyl)phenyl]-4,4-dimethyl-2,5-dihydropyridazin-3-one

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.0255 0.0255
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0255 0.0255
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.0255 1
Trichomonas vaginalis abcb9, putative 0.001 0.0255 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0129 1 1
Schistosoma mansoni coup transcription factor 0.0129 1 1
Onchocerca volvulus 0.0061 0.4405 0.4258
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0129 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0061 0.4405 0.4405
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.0255 1
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.001 0.0255 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0129 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0129 1 1
Schistosoma mansoni thyroid hormone receptor 0.0129 1 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.4405 0.4264
Loa Loa (eye worm) hypothetical protein 0.0061 0.4405 0.4264
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0129 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0129 1 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.5004 0.4878
Loa Loa (eye worm) hypothetical protein 0.0068 0.5004 0.4878
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0061 0.4405 0.4258
Onchocerca volvulus 0.0129 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0129 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0129 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.0255 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.0255 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0129 1 1
Echinococcus multilocularis ATP binding cassette sub family B 0.001 0.0246 0.0246
Brugia malayi hypothetical protein 0.0068 0.5004 0.4873
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0061 0.4405 0.4405
Echinococcus multilocularis nuclear receptor nhr 48 0.0061 0.4405 0.4405
Echinococcus granulosus ecdysone induced protein 78C 0.0129 1 1
Brugia malayi nuclear receptor NHR-67 0.0061 0.4405 0.4258
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0129 1 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0061 0.4405 0.4258
Brugia malayi nuclear receptor RXR 0.0068 0.5004 0.4873
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0129 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.0255 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.4405 0.4264
Brugia malayi hypothetical protein 0.0061 0.4405 0.4258
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.0255 1
Brugia malayi nuclear hormone receptor 0.0061 0.4405 0.4258
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.0255 0.0255
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0061 0.4405 0.4258
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0068 0.5004 0.4878
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0061 0.4405 0.4258
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.0255 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.4405 0.4264
Loa Loa (eye worm) nuclear receptor NHR-67 0.0061 0.4405 0.4264
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0068 0.5004 0.4873
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.0255 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0129 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.0255 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.4405 0.4264
Schistosoma mansoni steroid hormone receptor ad4bp 0.0129 1 1
Brugia malayi nuclear receptor NHR-88 0.0061 0.4405 0.4258
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0129 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0255 0.0009
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0129 1 1
Leishmania major p-glycoprotein 0.001 0.0255 0.5
Trichomonas vaginalis taga, putative 0.001 0.0255 1
Entamoeba histolytica P-glycoprotein 5, putative 0.001 0.0255 0.5
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.001 0.0246 0.0246
Echinococcus multilocularis FTZ F1 alpha 0.0129 1 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.4405 0.4264
Entamoeba histolytica P-glycoprotein-1 0.001 0.0255 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.0255 0.0255
Brugia malayi steroid hormone receptor 0.0129 1 1
Loa Loa (eye worm) hypothetical protein 0.0129 1 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.001 0.0255 0.0009
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0129 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0129 1 1
Brugia malayi nuclear hormone receptor 0.0129 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.0255 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0129 1 1
Brugia malayi hypothetical protein 0.0068 0.5004 0.4873
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0129 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0129 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0129 1 1
Brugia malayi conserved hypotetical protein 0.0061 0.4405 0.4258
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.0255 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0129 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0255 0.0255
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0068 0.5004 0.4873
Schistosoma mansoni nuclear hormone receptor 0.0061 0.4405 0.4258
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0129 1 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0061 0.4405 0.4264
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0129 1 1
Schistosoma mansoni nuclear hormone receptor 0.0061 0.4405 0.4258
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0129 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0255 0.0255
Loa Loa (eye worm) steroid hormone receptor 0.0129 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0129 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.0255 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0129 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0068 0.5004 0.4873
Onchocerca volvulus Bile acid receptor homolog 0.0129 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0061 0.4405 0.4258
Echinococcus granulosus nuclear receptor nhr 48 0.0061 0.4405 0.4405
Brugia malayi Nuclear hormone receptor E75 0.0061 0.4405 0.4258
Entamoeba histolytica P-glycoprotein-2 0.001 0.0255 0.5
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.001 0.0255 0.5
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.001 0.0255 0.5
Brugia malayi hypothetical protein 0.0061 0.4405 0.4258
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0061 0.4405 0.4405
Trichomonas vaginalis ABC transporter, putative 0.001 0.0255 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0129 1 1
Brugia malayi tailless protein 0.0061 0.4405 0.4258
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.0255 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.4405 0.4264
Trichomonas vaginalis ABC transporter, putative 0.001 0.0255 1
Loa Loa (eye worm) hypothetical protein 0.0129 1 1
Loa Loa (eye worm) DR-78 0.0061 0.4405 0.4264
Loa Loa (eye worm) hypothetical protein 0.0068 0.5004 0.4878
Schistosoma mansoni RAR-like nuclear receptor 0.0129 1 1
Loa Loa (eye worm) hypothetical protein 0.0129 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.0255 1
Brugia malayi Steroid receptor seven-up type 2 0.0129 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0061 0.4405 0.4258
Echinococcus granulosus Nuclear hormone receptor HR96 0.0061 0.4405 0.4405
Brugia malayi nuclear hormone receptor family member nhr-6 0.0061 0.4405 0.4258
Echinococcus granulosus Nuclear hormone receptor HR96 0.0061 0.4405 0.4405
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.0255 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0129 1 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.4405 0.4264
Onchocerca volvulus 0.0061 0.4405 0.4258
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0061 0.4405 0.4405
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0129 1 1
Echinococcus granulosus multidrug resistance protein 1 0.001 0.0255 0.0255
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0061 0.4405 0.4405
Schistosoma mansoni nuclear receptor 0.0061 0.4405 0.4258
Loa Loa (eye worm) hypothetical protein 0.0129 1 1
Trichomonas vaginalis ABC transporter, putative 0.001 0.0255 1
Plasmodium vivax multidrug resistance protein 1, putative 0.001 0.0255 0.5
Brugia malayi ecdysone receptor 0.0061 0.4405 0.4258
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0129 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0129 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0255 0.0009
Plasmodium falciparum multidrug resistance protein 1 0.001 0.0255 0.5
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.001 0.0255 0.5
Echinococcus granulosus multidrug resistance protein 1 0.001 0.0255 0.0255
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.0255 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0061 0.4405 0.4405
Loa Loa (eye worm) hypothetical protein 0.0061 0.4405 0.4264
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0061 0.4405 0.4405
Brugia malayi nuclear receptor RXR 0.0061 0.4405 0.4258
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.0255 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.5004 0.4878
Loa Loa (eye worm) hypothetical protein 0.0061 0.4405 0.4264
Schistosoma mansoni thyroid hormone receptor 0.0129 1 1
Loa Loa (eye worm) multidrug resistance protein 3 0.001 0.0255 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0129 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0129 1 1
Echinococcus multilocularis multidrug resistance protein 1 0.001 0.0255 0.0255
Schistosoma mansoni nuclear hormone receptor 0.0129 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.0255 0.0255
Echinococcus granulosus multidrug resistance protein 1 0.001 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.0068 0.5004 0.4878
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0255 0.0255
Loa Loa (eye worm) nuclear hormone receptor 0.0061 0.4405 0.4264
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0129 1 1
Loa Loa (eye worm) hypothetical protein 0.0129 1 1
Echinococcus multilocularis multidrug resistance protein 1 0.001 0.0255 0.0255
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0129 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0129 1 1
Entamoeba histolytica P-glycoprotein-2 0.001 0.0255 0.5
Trichomonas vaginalis abcb9, putative 0.001 0.0255 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.001 0.0255 0.5
Trichomonas vaginalis ABC transporter, putative 0.001 0.0255 1
Brugia malayi nuclear receptor NHR-88 0.0129 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.0255 1
Brugia malayi Nuclear hormone receptor E75 0.0061 0.4405 0.4258
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0129 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0129 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0129 1 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.4405 0.4264
Loa Loa (eye worm) hypothetical protein 0.0061 0.4405 0.4264
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.0255 1
Trichomonas vaginalis abcb9, putative 0.001 0.0255 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.001 0.0255 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.001 0.0255 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0129 1 1
Entamoeba histolytica P-glycoprotein-2, putative 0.001 0.0255 0.5
Loa Loa (eye worm) hypothetical protein 0.0129 1 1
Loa Loa (eye worm) hypothetical protein 0.0129 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0061 0.4405 0.4258
Entamoeba histolytica P-glycoprotein-5 0.001 0.0255 0.5
Schistosoma mansoni nuclear receptor 0.0061 0.4405 0.4258
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0061 0.4405 0.4258
Schistosoma mansoni zinc finger protein 0.0061 0.4405 0.4258
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0129 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0068 0.5004 0.5004
Brugia malayi Nuclear hormone receptor-like 1 0.0068 0.5004 0.4873
Onchocerca volvulus Protein ultraspiracle homolog 0.0129 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0068 0.5004 0.5004
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.0255 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0129 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0061 0.4405 0.4405
Echinococcus multilocularis ecdysone induced protein 78C 0.0129 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0255 0.0255
Echinococcus granulosus FTZ F1 alpha 0.0129 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0129 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0129 1 1
Loa Loa (eye worm) hypothetical protein 0.0129 1 1
Entamoeba histolytica P-glyco protein 6, putative 0.001 0.0255 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.4405 0.4264

Activities

Activity type Activity value Assay description Source Reference
Dose (functional) = 0.05 mg kg-1 Increased myocardial contractility (dP/dt max) in anesthetized dog at 2 mg/kg ChEMBL. 3656349
Inhibition (binding) = 2 % Inhibition of cGMP PDE I enzyme in guinea pig at 1E-5M concentration ChEMBL. 2822926
Inhibition (binding) = 2 % Inhibition of cGMP PDE I enzyme in guinea pig at 1E-5M concentration ChEMBL. 2822926
Inhibition (binding) = 7 % Inhibition of cAMP PDE I enzyme in guinea pig at 1E-5M concentration ChEMBL. 2822926
Inhibition (binding) = 7 % Inhibition of cAMP PDE I enzyme in guinea pig at 1E-5M concentration ChEMBL. 2822926
Inhibition (binding) = 13 % Inhibition of cGMP PDE II enzyme in guinea pig at 1E-5M concentration ChEMBL. 2822926
Inhibition (binding) = 13 % Inhibition of cGMP PDE II enzyme in guinea pig at 1E-5M concentration ChEMBL. 2822926
Inhibition (binding) = 22 % Inhibition of cAMP PDE II enzyme in guinea pig at 1E-5M concentration ChEMBL. 2822926
Inhibition (binding) = 22 % Inhibition of cAMP PDE II enzyme in guinea pig at 1E-5M concentration ChEMBL. 2822926
Inhibition (binding) = 27 % Inhibition of cAMP PDE III enzyme in guinea pig at 1E-5M concentration ChEMBL. 2822926
Inhibition (binding) = 27 % Inhibition of cAMP PDE III enzyme in guinea pig at 1E-5M concentration ChEMBL. 2822926

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

Bibliographic References

2 literature references were collected for this gene.

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