Detailed information for compound 1611791

Basic information

Technical information
  • TDR Targets ID: 1611791
  • Name: ethyl 2-(naphthalen-1-ylamino)-4-oxofuran-3-c arboxylate
  • MW: 297.305 | Formula: C17H15NO4
  • H donors: 1 H acceptors: 2 LogP: 4.04 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1=C(OCC1=O)Nc1cccc2c1cccc2
  • InChi: 1S/C17H15NO4/c1-2-21-17(20)15-14(19)10-22-16(15)18-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,18H,2,10H2,1H3
  • InChiKey: PUZUEQNYTOVFGB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-(1-naphthylamino)-4-oxo-furan-3-carboxylate
  • 2-(1-naphthylamino)-4-oxo-3-furancarboxylic acid ethyl ester
  • 4-keto-2-(1-naphthylamino)furan-3-carboxylic acid ethyl ester
  • ethyl 2-(naphthalen-1-ylamino)-4-oxo-furan-3-carboxylate
  • NCI60_007065
  • ST5450923
  • AIDS-131447
  • AIDS131447
  • Ethyl 2-(1-naphthylamino)-4-oxo-4,5-dihydro-3-furancarboxylate
  • NSC623750

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
Onchocerca volvulus 0.0142 0.2354 0.5857
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.02 0.3555 0.3554
Brugia malayi Pre-SET motif family protein 0.0028 0.0021 0.002
Echinococcus multilocularis insulin receptor 0.0287 0.535 0.5416
Brugia malayi Protein kinase domain containing protein 0.0287 0.535 0.5349
Loa Loa (eye worm) hypothetical protein 0.0031 0.0075 0.0073
Schistosoma mansoni tyrosine kinase 0.0127 0.2055 0.2079
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0195 0.3451 0.345
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0078 0.1051 0.1064
Loa Loa (eye worm) hypothetical protein 0.0031 0.0075 0.0073
Brugia malayi hypothetical protein 0.0031 0.0075 0.0073
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0287 0.535 0.5416
Echinococcus granulosus protein tyrosine kinase 0.0508 0.9877 1
Echinococcus granulosus MAM 0.0031 0.0075 0.0076
Echinococcus granulosus snurportin 1 0.0288 0.5368 0.5435
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.02 0.3555 1
Brugia malayi Protein kinase domain containing protein 0.0261 0.4803 0.4802
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.02 0.3555 1
Schistosoma mansoni tyrosine kinase 0.0287 0.535 0.5416
Brugia malayi hypothetical protein 0.0142 0.2354 0.2353
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.02 0.3555 0.5
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.02 0.3555 0.5
Plasmodium vivax SET domain protein, putative 0.0028 0.0021 0.0055
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0078 0.1051 0.1063
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0028 0.0021 0.002
Echinococcus granulosus histone lysine methyltransferase setb 0.0028 0.0021 0.0021
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0078 0.1051 0.5
Schistosoma mansoni tyrosine kinase 0.0133 0.2168 0.2194
Leishmania major dihydroorotate dehydrogenase 0.02 0.3555 0.5
Echinococcus granulosus epidermal growth factor receptor 0.0133 0.2168 0.2195
Echinococcus granulosus epidermal growth factor receptor 0.0133 0.2168 0.2195
Onchocerca volvulus 0.0031 0.0075 0.0134
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0287 0.535 0.5416
Loa Loa (eye worm) TK/ALK protein kinase 0.0261 0.4802 0.4801
Plasmodium falciparum dihydroorotate dehydrogenase 0.02 0.3555 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0028 0.0021 0.0055
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.02 0.3555 1
Schistosoma mansoni tyrosine kinase 0.0127 0.2055 0.2079
Schistosoma mansoni dihydroorotate dehydrogenase 0.02 0.3555 0.3598
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.02 0.3555 1
Echinococcus granulosus insulin receptor 0.0287 0.535 0.5416
Onchocerca volvulus 0.0222 0.4004 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0028 0.0021 0.002
Schistosoma mansoni hypothetical protein 0.0288 0.5368 0.5435
Loa Loa (eye worm) TK/INSR protein kinase 0.0287 0.535 0.5349
Brugia malayi Zinc finger, C2H2 type family protein 0.0078 0.1051 0.105
Schistosoma mansoni tyrosine kinase 0.0508 0.9877 1
Brugia malayi Furin-like cysteine rich region family protein 0.0133 0.2168 0.2167
Schistosoma mansoni tyrosine kinase 0.0127 0.2055 0.2079
Echinococcus granulosus importin subunit beta 1 0.0027 0.0002 0.0002
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0288 0.5368 0.5368
Schistosoma mansoni hypothetical protein 0.0031 0.0075 0.0074
Schistosoma mansoni tyrosine kinase 0.0133 0.2168 0.2194
Loa Loa (eye worm) hypothetical protein 0.0028 0.0021 0.002
Loa Loa (eye worm) hypothetical protein 0.0155 0.2628 0.2627
Echinococcus multilocularis epidermal growth factor receptor 0.0133 0.2168 0.2194
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.02 0.3555 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0028 0.0021 0.002
Loa Loa (eye worm) TK/FAK protein kinase 0.0514 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0078 0.1051 0.1063
Brugia malayi Pre-SET motif family protein 0.0195 0.3451 0.345
Loa Loa (eye worm) hypothetical protein 0.0225 0.406 0.4059
Schistosoma mansoni tyrosine kinase 0.0133 0.2168 0.2194
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.02 0.3555 1
Brugia malayi Protein kinase domain containing protein 0.016 0.2742 0.2741
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0028 0.0021 0.002
Trichomonas vaginalis set domain proteins, putative 0.0222 0.4004 1
Brugia malayi RNA, U transporter 1 0.0077 0.1024 0.1023
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.02 0.3555 0.5
Echinococcus multilocularis snurportin 1 0.0288 0.5368 0.5435
Echinococcus multilocularis epidermal growth factor receptor 0.0133 0.2168 0.2194
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0078 0.1051 0.1064
Schistosoma mansoni hypothetical protein 0.0031 0.0075 0.0074
Echinococcus multilocularis 0.0037 0.0209 0.021
Loa Loa (eye worm) hypothetical protein 0.0031 0.0075 0.0073
Echinococcus multilocularis MAM 0.0031 0.0075 0.0074
Loa Loa (eye worm) TK/EGFR protein kinase 0.0133 0.2168 0.2167
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0028 0.0021 0.002
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0028 0.0021 0.002
Loa Loa (eye worm) hypothetical protein 0.0142 0.2354 0.2353
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.02 0.3555 0.3554
Onchocerca volvulus 0.0031 0.0075 0.0134
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.02 0.3555 0.5
Schistosoma mansoni tyrosine kinase 0.0287 0.535 0.5416
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0133 0.2168 0.2195
Echinococcus multilocularis protein tyrosine kinase 0.0508 0.9877 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (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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