Detailed information for compound 841814

Basic information

Technical information
  • TDR Targets ID: 841814
  • Name: methyl 2-[[1-(4-methylphenyl)-4-oxopyridazine -3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzo thiophene-3-carboxylate
  • MW: 423.485 | Formula: C22H21N3O4S
  • H donors: 1 H acceptors: 3 LogP: 4.84 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1c(NC(=O)c2nn(ccc2=O)c2ccc(cc2)C)sc2c1CCCC2
  • InChi: 1S/C22H21N3O4S/c1-13-7-9-14(10-8-13)25-12-11-16(26)19(24-25)20(27)23-21-18(22(28)29-2)15-5-3-4-6-17(15)30-21/h7-12H,3-6H2,1-2H3,(H,23,27)
  • InChiKey: BHBIKQYDFYLWRS-UHFFFAOYSA-N  

Network

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Synonyms

  • methyl 2-[[1-(4-methylphenyl)-4-oxo-pyridazine-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
  • 2-[[[1-(4-methylphenyl)-4-oxo-3-pyridazinyl]-oxomethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester
  • 2-[[4-keto-1-(4-methylphenyl)pyridazine-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester
  • methyl 2-[[1-(4-methylphenyl)-4-oxo-pyridazin-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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
Loa Loa (eye worm) hypothetical protein 0.0161 0.3544 0.3544
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0161 0.3544 0.3544
Schistosoma mansoni coup transcription factor 0.0161 0.3544 0.5
Loa Loa (eye worm) hypothetical protein 0.0161 0.3544 0.3544
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0161 0.3544 0.5
Schistosoma mansoni thyroid hormone receptor 0.0161 0.3544 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0161 0.3544 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0161 0.3544 0.3544
Trypanosoma cruzi cytochrome P450, putative 0.0105 0 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0161 0.3544 0.5
Leishmania major cytochrome p450-like protein 0.0105 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0161 0.3544 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0161 0.3544 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0161 0.3544 0.3544
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0161 0.3544 0.3544
Loa Loa (eye worm) hypothetical protein 0.0161 0.3544 0.3544
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0161 0.3544 0.3544
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0161 0.3544 0.5
Brugia malayi steroid hormone receptor 0.0161 0.3544 0.3544
Loa Loa (eye worm) steroid hormone receptor 0.0161 0.3544 0.3544
Loa Loa (eye worm) hypothetical protein 0.0161 0.3544 0.3544
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0161 0.3544 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0161 0.3544 0.3544
Loa Loa (eye worm) hypothetical protein 0.0161 0.3544 0.3544
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0161 0.3544 0.3544
Echinococcus granulosus FTZ F1 alpha 0.0161 0.3544 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0161 0.3544 0.3544
Loa Loa (eye worm) hypothetical protein 0.0161 0.3544 0.3544
Trypanosoma brucei cytochrome P450, putative 0.0105 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0161 0.3544 0.3544
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0161 0.3544 0.3544
Echinococcus multilocularis FTZ F1 alpha 0.0161 0.3544 0.5
Brugia malayi nuclear receptor NHR-88 0.0161 0.3544 0.3544
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0161 0.3544 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0161 0.3544 0.3544
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0161 0.3544 0.5
Brugia malayi ecdysteroid receptor 0.0161 0.3544 0.3544
Schistosoma mansoni steroid hormone receptor ad4bp 0.0161 0.3544 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0105 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0161 0.3544 0.3544
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0161 0.3544 0.5
Brugia malayi nuclear hormone receptor 0.0161 0.3544 0.3544
Schistosoma mansoni retinoic acid receptor RXR 0.0161 0.3544 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0161 0.3544 0.3544
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0161 0.3544 0.3544
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0161 0.3544 0.3544
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0161 0.3544 0.5
Schistosoma mansoni thyroid hormone receptor 0.0161 0.3544 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0264 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0161 0.3544 0.3544
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0161 0.3544 0.3544
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0161 0.3544 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0161 0.3544 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0161 0.3544 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0161 0.3544 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0161 0.3544 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0161 0.3544 0.5
Loa Loa (eye worm) hypothetical protein 0.0161 0.3544 0.3544
Onchocerca volvulus 0.0161 0.3544 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0161 0.3544 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0161 0.3544 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0161 0.3544 0.3544
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0161 0.3544 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0161 0.3544 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0161 0.3544 0.3544
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0161 0.3544 0.3544
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0161 0.3544 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0161 0.3544 0.3544
Echinococcus multilocularis ecdysone induced protein 78C 0.0161 0.3544 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0161 0.3544 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0161 0.3544 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0161 0.3544 0.3544
Trypanosoma cruzi cytochrome P450, putative 0.0105 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0161 0.3544 0.3544
Echinococcus granulosus ecdysone induced protein 78C 0.0161 0.3544 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0161 0.3544 0.3544
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0161 0.3544 0.5

Activities

No activities found for this compound.

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

No literature references available for this target.

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