Detailed information for compound 646608

Basic information

Technical information
  • TDR Targets ID: 646608
  • Name: diethyl 1-(4-ethoxyphenyl)-4-(5-methylthiophe n-2-yl)-4H-pyridine-3,5-dicarboxylate
  • MW: 441.54 | Formula: C24H27NO5S
  • H donors: 0 H acceptors: 2 LogP: 4.69 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1=CN(C=C(C1c1ccc(s1)C)C(=O)OCC)c1ccc(cc1)OCC
  • InChi: 1S/C24H27NO5S/c1-5-28-18-11-9-17(10-12-18)25-14-19(23(26)29-6-2)22(21-13-8-16(4)31-21)20(15-25)24(27)30-7-3/h8-15,22H,5-7H2,1-4H3
  • InChiKey: UWADIVYGSRCJIF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • diethyl 1-(4-ethoxyphenyl)-4-(5-methyl-2-thienyl)-4H-pyridine-3,5-dicarboxylate
  • 1-(4-ethoxyphenyl)-4-(5-methyl-2-thienyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester
  • AG-205/40775777
  • A2558/0108951
  • ZINC00717231

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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0433 0.635
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.0433 0.1484
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0315 0.0315
Leishmania major mitochondrial DNA polymerase beta 0.0293 0.4308 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.1663 0.5695
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0501 0.0176
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0293 0.4308 1
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.0594 0.8856 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.0501 0.0218
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1251 0.1251
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.0501 0.0218
Loa Loa (eye worm) hypothetical protein 0.0029 0.0315 0.1078
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0315 0.0315
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.0501 0.0234
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0139 0.1975 0.3979
Schistosoma mansoni ap endonuclease 0.0037 0.0433 0.0433
Schistosoma mansoni microtubule-associated protein tau 0.0669 1 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0449 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0154 0.2212 0.2112
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.0433 0.1484
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1251 0.1251
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0501 0.0176
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.1251 0.4287
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1251 0.1251
Toxoplasma gondii exonuclease III APE 0.0037 0.0433 0.0139
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1663 0.5695
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1251 0.1251
Mycobacterium ulcerans hypothetical protein 0.0154 0.2212 0.2112
Schistosoma mansoni hypothetical protein 0.0164 0.2354 0.2354
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.1251 0.4287
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0501 0.0176
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0315 0.0315
Echinococcus granulosus geminin 0.0164 0.2354 0.2354
Brugia malayi Pre-SET motif family protein 0.0201 0.292 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.0433 0.0433
Echinococcus multilocularis microtubule associated protein 2 0.0669 1 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0501 0.0176
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0315 0.0315
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0594 0.8856 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.0501 0.0234
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0449 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.014 0.1996 0.1996
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.1975 0.3979
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0449 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.014 0.1996 0.1996
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0293 0.4308 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0299 0.0299
Echinococcus granulosus histone acetyltransferase KAT2B 0.0136 0.1937 0.1937
Trichomonas vaginalis set domain proteins, putative 0.0229 0.334 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1251 0.1251
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0037 0.0433 0.5
Brugia malayi Pre-SET motif family protein 0.0029 0.0315 0.1078
Treponema pallidum exodeoxyribonuclease (exoA) 0.0037 0.0433 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0315 0.0315
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0315 0.0315
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0315 0.0315
Toxoplasma gondii pantoate-beta-alanine ligase 0.0594 0.8856 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0293 0.4308 1
Loa Loa (eye worm) acetyltransferase 0.014 0.1996 0.6838
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0638 0.0528
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.292 1
Schistosoma mansoni hypothetical protein 0.0164 0.2354 0.2354
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.0433 0.0433
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.0501 0.0501
Schistosoma mansoni ap endonuclease 0.0037 0.0433 0.0433
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.0501 1
Brugia malayi MH2 domain containing protein 0.0118 0.1663 0.5695
Mycobacterium leprae Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0594 0.8856 0.5
Echinococcus multilocularis geminin 0.0164 0.2354 0.2354
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1251 0.1251
Toxoplasma gondii hypothetical protein 0.0047 0.0593 0.0326
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1251 0.1251
Onchocerca volvulus 0.0229 0.334 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.1975 0.3979
Brugia malayi acetyltransferase, GNAT family protein 0.014 0.1996 0.6838

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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