Detailed information for compound 1358865

Basic information

Technical information
  • TDR Targets ID: 1358865
  • Name: [2-[[6-amino-2,4-dioxo-1-(phenylmethyl)pyrimi din-5-yl]-(2-methylpropyl)amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
  • MW: 530.572 | Formula: C29H30N4O6
  • H donors: 2 H acceptors: 4 LogP: 4 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(CN(c1c(=O)[nH]c(=O)n(c1N)Cc1ccccc1)C(=O)COC(=O)COc1ccc2c(c1)cccc2)C
  • InChi: 1S/C29H30N4O6/c1-19(2)15-32(26-27(30)33(29(37)31-28(26)36)16-20-8-4-3-5-9-20)24(34)17-39-25(35)18-38-23-13-12-21-10-6-7-11-22(21)14-23/h3-14,19H,15-18,30H2,1-2H3,(H,31,36,37)
  • InChiKey: MKDCJBIQCSSIIN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[[6-amino-2,4-dioxo-1-(phenylmethyl)pyrimidin-5-yl]-isobutyl-amino]-2-oxo-ethyl] 2-(2-naphthyloxy)acetate
  • 2-(2-naphthyloxy)acetic acid [2-[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-isobutylamino]-2-oxoethyl] ester
  • 2-(2-naphthyloxy)acetic acid [2-[[6-amino-1-(benzyl)-2,4-diketo-pyrimidin-5-yl]-isobutyl-amino]-2-keto-ethyl] ester
  • [2-[[6-amino-2,4-dioxo-1-(phenylmethyl)pyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxo-ethyl] 2-naphthalen-2-yloxyethanoate

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
Schistosoma mansoni nuclear hormone receptor 0.0041 0.0444 0.1398
Echinococcus multilocularis GPCR, family 2 0.0031 0.0242 0.0815
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0041 0.0444 0.0444
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0048 0.015
Schistosoma mansoni thyroid hormone receptor 0.0041 0.0444 0.1398
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.056 0.1765
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1621 0.1621
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0041 0.0444 0.0444
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0022 0.0048 0.015
Echinococcus granulosus ankyrin repeat protein 0.0157 0.2795 0.8806
Brugia malayi Steroid receptor seven-up type 2 0.0041 0.0444 0.0444
Echinococcus granulosus geminin 0.0165 0.2969 0.9353
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0041 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0041 0.0444 0.0444
Onchocerca volvulus 0.0027 0.0159 0.0159
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0041 0.0444 0.1494
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0159 0.0159
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.056 0.056
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0983 0.0983
Brugia malayi Angiotensin-converting enzyme family protein 0.0487 0.9518 0.9518
Schistosoma mansoni lamin 0.0027 0.0159 0.0502
Loa Loa (eye worm) hypothetical protein 0.0099 0.1621 0.1621
Echinococcus granulosus transient receptor potential cation channel 0.016 0.286 0.9011
Loa Loa (eye worm) hypothetical protein 0.0031 0.0242 0.0242
Schistosoma mansoni lamin 0.0027 0.0159 0.0502
Echinococcus granulosus lamin 0.0027 0.0159 0.0502
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0153 0.273 0.9197
Echinococcus multilocularis thyroid hormone receptor alpha 0.0041 0.0444 0.1494
Loa Loa (eye worm) hypothetical protein 0.0041 0.0444 0.0444
Schistosoma mansoni thyroid hormone receptor 0.0041 0.0444 0.1398
Onchocerca volvulus 0.0041 0.0444 0.0444
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0157 0.2795 0.8806
Echinococcus granulosus GPCR family 2 0.0031 0.0242 0.0763
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0041 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0041 0.0444 0.0444
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0041 0.0444 0.1398
Loa Loa (eye worm) hypothetical protein 0.0022 0.0048 0.0048
Onchocerca volvulus Protein ultraspiracle homolog 0.0041 0.0444 0.0444
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0041 0.0444 0.1398
Loa Loa (eye worm) hypothetical protein 0.0068 0.0983 0.0983
Brugia malayi nuclear receptor RXR 0.0022 0.0048 0.0048
Onchocerca volvulus Bile acid receptor homolog 0.051 1 1
Echinococcus multilocularis lamin 0.0027 0.0159 0.0537
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0242 0.0763
Schistosoma mansoni retinoic acid receptor RXR 0.0175 0.3174 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0041 0.0444 0.1494
Brugia malayi photoreceptor-specific nuclear receptor 0.0041 0.0444 0.0444
Echinococcus granulosus FTZ F1 alpha 0.0041 0.0444 0.1398
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0041 0.0444 0.0444
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0022 0.0048 0.015
Echinococcus multilocularis ecdysone induced protein 78C 0.0041 0.0444 0.1494
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0242 0.0815
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0041 0.0444 0.1494
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1621 0.1621
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0487 0.9518 0.9518
Echinococcus granulosus ecdysone induced protein 78C 0.0041 0.0444 0.1398
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.056 0.1765
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0041 0.0444 0.0444
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0041 0.0444 0.0444
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0175 0.3174 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.056 0.1887
Loa Loa (eye worm) hypothetical protein 0.0022 0.0048 0.0048
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0041 0.0444 0.1494
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0041 0.0444 0.1398
Schistosoma mansoni intermediate filament proteins 0.0027 0.0159 0.0502
Loa Loa (eye worm) hypothetical protein 0.0041 0.0444 0.0444
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0041 0.0444 0.1494
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0041 0.0444 0.1398
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0041 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0041 0.0444 0.0444
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0048 0.0048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.056 0.1765
Echinococcus granulosus intermediate filament protein 0.0027 0.0159 0.0502
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0041 0.0444 0.0444
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0242 0.0242
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0041 0.0444 0.0444
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0242 0.0763
Schistosoma mansoni hypothetical protein 0.0165 0.2969 0.9353
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1621 0.1621
Schistosoma mansoni hypothetical protein 0.0068 0.0983 0.3096
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0022 0.0048 0.0048
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0242 0.0815
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0041 0.0444 0.0444
Schistosoma mansoni hypothetical protein 0.0031 0.0242 0.0763
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0022 0.0048 0.016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0041 0.0444 0.0444
Brugia malayi hypothetical protein 0.0022 0.0048 0.0048
Schistosoma mansoni RAR-like nuclear receptor 0.0041 0.0444 0.1398
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0041 0.0444 0.0444
Brugia malayi intermediate filament protein 0.0027 0.0159 0.0159
Echinococcus multilocularis FTZ F1 alpha 0.0041 0.0444 0.1494
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0041 0.0444 0.1398
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0041 0.0444 0.0444
Brugia malayi steroid hormone receptor 0.0041 0.0444 0.0444
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0159 0.0159
Echinococcus multilocularis geminin 0.0165 0.2969 1
Brugia malayi nuclear hormone receptor 0.0041 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0041 0.0444 0.0444
Brugia malayi hypothetical protein 0.0022 0.0048 0.0048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.056 0.1765
Echinococcus granulosus lamin dm0 0.0027 0.0159 0.0502
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0041 0.0444 0.1398
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0159 0.0159
Brugia malayi Nuclear hormone receptor-like 1 0.0041 0.0444 0.0444
Schistosoma mansoni coup transcription factor 0.0041 0.0444 0.1398
Brugia malayi nuclear receptor NHR-88 0.0041 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0041 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0022 0.0048 0.0048
Echinococcus multilocularis musashi 0.0027 0.0159 0.0537
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0041 0.0444 0.0444
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0041 0.0444 0.0444
Schistosoma mansoni hypothetical protein 0.0031 0.0242 0.0763
Loa Loa (eye worm) steroid hormone receptor 0.0041 0.0444 0.0444
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0242 0.0242
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0041 0.0444 0.0444
Echinococcus multilocularis ankyrin repeat protein 0.0157 0.2795 0.9416
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0041 0.0444 0.0444
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0041 0.0444 0.1494
Loa Loa (eye worm) hypothetical protein 0.0027 0.0159 0.0159
Echinococcus multilocularis lamin dm0 0.0027 0.0159 0.0537
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0242 0.0242
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0041 0.0444 0.1398
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.056 0.056
Schistosoma mansoni steroid hormone receptor ad4bp 0.0041 0.0444 0.1398
Echinococcus multilocularis transient receptor potential cation channel 0.016 0.286 0.9634
Loa Loa (eye worm) hypothetical protein 0.051 1 1
Schistosoma mansoni hypothetical protein 0.0031 0.0242 0.0763
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0041 0.0444 0.1398
Loa Loa (eye worm) hypothetical protein 0.0027 0.0149 0.0149
Schistosoma mansoni hypothetical protein 0.0031 0.0242 0.0763
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0041 0.0444 0.1398
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0041 0.0444 0.1398
Loa Loa (eye worm) hypothetical protein 0.0022 0.0048 0.0048
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0041 0.0444 0.1398
Schistosoma mansoni hypothetical protein 0.0165 0.2969 0.9353
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.056 0.1765
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0041 0.0444 0.1398
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0041 0.0444 0.0444
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.056 0.1887
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0041 0.0444 0.0444
Onchocerca volvulus 0.0027 0.0159 0.0159
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0048 0.0048
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0041 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0022 0.0048 0.0048

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 67.4555 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

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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