Detailed information for compound 906992

Basic information

Technical information
  • TDR Targets ID: 906992
  • Name: 2-phenylethyl 4-(3,4-dimethoxyphenyl)-6-methy l-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxyla te
  • MW: 396.436 | Formula: C22H24N2O5
  • H donors: 2 H acceptors: 2 LogP: 2.91 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)C1NC(=O)NC(=C1C(=O)OCCc1ccccc1)C
  • InChi: 1S/C22H24N2O5/c1-14-19(21(25)29-12-11-15-7-5-4-6-8-15)20(24-22(26)23-14)16-9-10-17(27-2)18(13-16)28-3/h4-10,13,20H,11-12H2,1-3H3,(H2,23,24,26)
  • InChiKey: ZOOFQDZQBZALEC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-phenylethyl ester
  • 4-(3,4-dimethoxyphenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-phenylethyl ester
  • AG-205/11866076
  • BAS 00915533
  • Oprea1_735007
  • Oprea1_318315
  • EU-0003228
  • A1771/0075073

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
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.0144 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.0144 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0037 0.0305 0.0314
Schistosoma mansoni coup transcription factor 0.0037 0.0305 0.1541
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0642 0.9695 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0037 0.0305 0.1541
Echinococcus multilocularis cathepsin b 0.0145 0.1978 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0661 0.3341
Onchocerca volvulus 0.0037 0.0305 0.0305
Loa Loa (eye worm) hypothetical protein 0.0037 0.0305 0.0314
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0037 0.0305 0.0314
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1522 0.1569
Onchocerca volvulus Cathepsin L homolog 0.0027 0.0144 0.0144
Brugia malayi Cathepsin L-like precursor 0.0027 0.0144 0.0148
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0134 0.1805 0.9128
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0037 0.0305 0.0314
Plasmodium vivax vivapain-2 0.0027 0.0144 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0027 0.0144 0.0727
Loa Loa (eye worm) hypothetical protein 0.002 0.0033 0.0034
Entamoeba histolytica cysteine protease, putative 0.0027 0.0144 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0037 0.0305 0.0314
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0037 0.0305 0.1541
Echinococcus granulosus ecdysone induced protein 78C 0.0037 0.0305 0.1541
Onchocerca volvulus 0.0027 0.0144 0.0144
Onchocerca volvulus Bile acid receptor homolog 0.0037 0.0305 0.0305
Entamoeba histolytica cysteine protease, putative 0.0027 0.0144 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0661 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0661 0.5
Echinococcus granulosus cathepsin L cysteine protease 0.0027 0.0144 0.0727
Echinococcus granulosus cathepsin b 0.0145 0.1978 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0037 0.0305 0.1541
Loa Loa (eye worm) hypothetical protein 0.002 0.0033 0.0034
Loa Loa (eye worm) hypothetical protein 0.0037 0.0305 0.0314
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0037 0.0305 0.0314
Trypanosoma brucei cysteine peptidase C (CPC) 0.0053 0.0555 1
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.0144 0.5
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0027 0.0144 0.0727
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0145 0.1978 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0037 0.0305 0.1541
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0037 0.0305 0.0314
Echinococcus granulosus cathepsin L cysteine proteinase 0.0027 0.0144 0.0727
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0661 0.3341
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0037 0.0305 0.0314
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0037 0.0305 0.1541
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0145 0.1978 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.1978 0.204
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0037 0.0305 0.0314
Brugia malayi nuclear receptor NHR-88 0.0037 0.0305 0.0314
Brugia malayi nuclear hormone receptor 0.0037 0.0305 0.0314
Loa Loa (eye worm) hypothetical protein 0.0037 0.0305 0.0314
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0037 0.0305 0.1541
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0037 0.0305 0.0314
Loa Loa (eye worm) hypothetical protein 0.0037 0.0305 0.0314
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0037 0.0305 0.0314
Loa Loa (eye worm) hypothetical protein 0.002 0.0033 0.0034
Brugia malayi Papain family cysteine protease containing protein 0.0027 0.0144 0.0148
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0027 0.0144 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0037 0.0305 0.1541
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0661 0.3341
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0027 0.0144 0.5
Entamoeba histolytica cysteine protease, putative 0.0027 0.0144 0.5
Entamoeba histolytica cysteine protease, putative 0.0027 0.0144 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0145 0.1978 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0037 0.0305 0.0314
Brugia malayi Papain family cysteine protease containing protein 0.0027 0.0144 0.0148
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0037 0.0305 0.0314
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0037 0.0305 0.0314
Loa Loa (eye worm) ctsf protein 0.0027 0.0144 0.0148
Entamoeba histolytica cysteine protease, putative 0.0027 0.0144 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0037 0.0305 0.1541
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0037 0.0305 0.0314
Echinococcus multilocularis cysteine protease 0.0027 0.0144 0.0727
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0027 0.0144 0.0148
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0037 0.0305 0.1541
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.0144 0.5
Brugia malayi Cathepsin L-like precursor 0.0027 0.0144 0.0148
Onchocerca volvulus 0.0027 0.0144 0.0144
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0037 0.0305 0.1541
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0037 0.0305 0.1541
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0037 0.0305 0.0314
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0037 0.0305 0.1541
Entamoeba histolytica cysteine proteinase 1, putative 0.0027 0.0144 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0053 0.0555 0.2805
Brugia malayi photoreceptor-specific nuclear receptor 0.0037 0.0305 0.0314
Loa Loa (eye worm) hypothetical protein 0.0037 0.0305 0.0314
Brugia malayi Cathepsin L-like precursor 0.0027 0.0144 0.0148
Toxoplasma gondii cathepsin B 0.0053 0.0555 0.7951
Schistosoma mansoni cathepsin F (C01 family) 0.0027 0.0144 0.0727
Onchocerca volvulus Protein ultraspiracle homolog 0.0037 0.0305 0.0305
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0037 0.0305 0.1541
Brugia malayi nuclear receptor RXR 0.002 0.0033 0.0034
Echinococcus multilocularis cathepsin L cysteine protease 0.0027 0.0144 0.0727
Echinococcus multilocularis ecdysone induced protein 78C 0.0037 0.0305 0.1541
Brugia malayi cathepsin B-like cysteine proteinase 0.0145 0.1978 0.204
Brugia malayi Steroid receptor seven-up type 2 0.0037 0.0305 0.0314
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.002 0.0033 0.0034
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.0144 0.5
Echinococcus granulosus cathepsin b 0.0145 0.1978 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0145 0.1978 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0661 0.5
Brugia malayi hypothetical protein 0.002 0.0033 0.0034
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0037 0.0305 0.0314
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.0144 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0037 0.0305 0.1541
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.002 0.0033 0.0165
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0661 0.3341
Entamoeba histolytica cysteine protease, putative 0.0027 0.0144 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0661 0.5
Giardia lamblia Cathepsin B precursor 0.0053 0.0555 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0033 0.0034
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0033 0.0165
Entamoeba histolytica cysteine protease, putative 0.0027 0.0144 0.5
Entamoeba histolytica cysteine protease, putative 0.0027 0.0144 0.5
Echinococcus granulosus cathepsin l cysteine peptidase 0.0027 0.0144 0.0727
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0037 0.0305 0.0314
Onchocerca volvulus 0.0027 0.0144 0.0144
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0037 0.0305 0.0314
Plasmodium vivax unspecified product 0.0027 0.0144 0.5
Entamoeba histolytica cysteine protease, putative 0.0027 0.0144 0.5
Onchocerca volvulus Cathepsin L homolog 0.0027 0.0144 0.0144
Echinococcus multilocularis cathepsin L cysteine protease 0.0027 0.0144 0.0727
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0661 1
Brugia malayi Nuclear hormone receptor-like 1 0.0037 0.0305 0.0314
Loa Loa (eye worm) hypothetical protein 0.0037 0.0305 0.0314
Brugia malayi steroid hormone receptor 0.0037 0.0305 0.0314
Brugia malayi Cathepsin L-like precursor 0.0027 0.0144 0.0148
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0037 0.0305 0.1541
Brugia malayi ecdysteroid receptor 0.0037 0.0305 0.0314
Loa Loa (eye worm) hypothetical protein 0.0027 0.0144 0.0148
Echinococcus granulosus cysteine protease 0.0027 0.0144 0.0727
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0053 0.0555 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0145 0.1978 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.002 0.0033 0.0165
Entamoeba histolytica cysteine protease, putative 0.0027 0.0144 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0037 0.0305 0.1541
Echinococcus multilocularis cathepsin b 0.0145 0.1978 1
Giardia lamblia Cathepsin B precursor 0.0053 0.0555 0.5
Brugia malayi MH2 domain containing protein 0.0116 0.1522 0.1569
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0027 0.0144 0.0727
Echinococcus granulosus cathepsin L 0.0027 0.0144 0.0727
Loa Loa (eye worm) hypothetical protein 0.0625 0.9423 0.9719
Loa Loa (eye worm) hypothetical protein 0.0037 0.0305 0.0314
Plasmodium falciparum cysteine proteinase falcipain 3 0.0027 0.0144 0.5
Entamoeba histolytica cysteine protease, putative 0.0027 0.0144 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0037 0.0305 0.0314
Brugia malayi Cathepsin L-like precursor 0.0027 0.0144 0.0148
Echinococcus granulosus FTZ F1 alpha 0.0037 0.0305 0.1541
Schistosoma mansoni thyroid hormone receptor 0.0037 0.0305 0.1541
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0037 0.0305 0.0314
Onchocerca volvulus Cathepsin F homolog 0.0027 0.0144 0.0144
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0027 0.0144 0.0727
Schistosoma mansoni retinoic acid receptor RXR 0.0134 0.1805 0.9128
Entamoeba histolytica cysteine protease, putative 0.0027 0.0144 0.5
Plasmodium vivax vivapain-2 0.0027 0.0144 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0037 0.0305 0.1541
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0033 0.0034
Entamoeba histolytica cysteine protease, putative 0.0027 0.0144 0.5
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0053 0.0555 0.2242
Loa Loa (eye worm) fibroinase 0.0027 0.0144 0.0148
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0033 0.0034
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0661 0.5
Plasmodium vivax vivapain-3 0.0027 0.0144 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0037 0.0305 0.1541
Schistosoma mansoni nuclear hormone receptor 0.0037 0.0305 0.1541
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0037 0.0305 0.1541
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0037 0.0305 0.1541
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0037 0.0305 0.0314
Loa Loa (eye worm) hypothetical protein 0.0037 0.0305 0.0314
Onchocerca volvulus 0.0027 0.0144 0.0144
Echinococcus multilocularis cathepsin L 0.0027 0.0144 0.0727
Brugia malayi Cathepsin L-like precursor 0.0027 0.0144 0.0148
Entamoeba histolytica cysteine protease, putative 0.0027 0.0144 0.5
Onchocerca volvulus 0.0027 0.0144 0.0144
Echinococcus granulosus cathepsin l1 0.0027 0.0144 0.0727
Brugia malayi hypothetical protein 0.002 0.0033 0.0034
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0027 0.0144 0.0727
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0114 0.15 0.7587
Loa Loa (eye worm) hypothetical protein 0.002 0.0033 0.0034
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0053 0.0555 0.7951
Plasmodium vivax vivapain-1 0.0027 0.0144 0.5
Entamoeba histolytica cysteine proteinase 2 0.0027 0.0144 0.5
Loa Loa (eye worm) cathepsin B 0.0053 0.0555 0.0572
Echinococcus multilocularis cysteine protease 0.0027 0.0144 0.0727
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0037 0.0305 0.1541
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0027 0.0144 0.0148
Giardia lamblia Cathepsin B precursor 0.0053 0.0555 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1522 0.1569
Plasmodium falciparum cysteine proteinase falcipain 1 0.0027 0.0144 0.5
Brugia malayi nuclear hormone receptor 0.0642 0.9695 1
Onchocerca volvulus 0.0027 0.0144 0.0144
Brugia malayi Papain family cysteine protease containing protein 0.0027 0.0144 0.0148
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0027 0.0144 0.0727
Loa Loa (eye worm) cysteine protease 0.0027 0.0144 0.0148
Onchocerca volvulus 0.0027 0.0144 0.0144
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.002 0.0033 0.0165
Echinococcus multilocularis FTZ F1 alpha 0.0037 0.0305 0.1541
Schistosoma mansoni thyroid hormone receptor 0.0037 0.0305 0.1541

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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