Detailed information for compound 564606

Basic information

Technical information
  • TDR Targets ID: 564606
  • Name: diethyl 4-(2,3-dihydro-1,4-dioxin-5-yl)-2,6-d imethyl-1,4-dihydropyridine-3,5-dicarboxylate
  • MW: 337.368 | Formula: C17H23NO6
  • H donors: 1 H acceptors: 2 LogP: 1.59 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1=C(C)NC(=C(C1C1=COCCO1)C(=O)OCC)C
  • InChi: 1S/C17H23NO6/c1-5-22-16(19)13-10(3)18-11(4)14(17(20)23-6-2)15(13)12-9-21-7-8-24-12/h9,15,18H,5-8H2,1-4H3
  • InChiKey: BEJLLWYCSDDQRG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(2,3-dihydro-1,4-dioxin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
  • diethyl 4-(5,6-dihydro-1,4-dioxin-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  • 4-(5,6-dihydro-1,4-dioxin-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
  • 88045-98-1
  • 3,5-Diethoxycarbonyl-4-(2'-(5',6'-dihydro-p-dioxinyl))-2,6-dimethyl-1,4-dihydropyridine
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(5,6-dihydro-1,4-dioxin-2-yl)-2,6-dimethyl-, diethyl ester
  • BAS 01052234
  • Oprea1_800401
  • 4-(5,6-Dihydro-[1,4]dioxin-2-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
  • MLS000035435
  • SMR000009868

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
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0025 0.0419 0.0834
Trichomonas vaginalis esterase, putative 0.0037 0.095 0.2281
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0994 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.095 0.2281
Loa Loa (eye worm) hypothetical protein 0.0033 0.0766 0.1525
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0076 0.2749 1
Echinococcus multilocularis lamin 0.003 0.0632 0.0464
Echinococcus multilocularis short transient receptor potential channel 6 0.0064 0.2191 0.3852
Echinococcus granulosus transient receptor potential gamma protein 0.0097 0.3686 0.7101
Echinococcus granulosus tar DNA binding protein 0.0126 0.502 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1289 0.1891
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.095 0.2281
Brugia malayi beta-lactamase 0.0037 0.095 0.1893
Brugia malayi DNA polymerase alpha catalytic subunit 0.0025 0.0419 0.0834
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1289 0.1891
Loa Loa (eye worm) hypothetical protein 0.0037 0.095 0.1893
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0994 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.2044 0.4072
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.0076 0.2749 0.5064
Schistosoma mansoni tar DNA-binding protein 0.0126 0.502 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0994 0.2467
Schistosoma mansoni tar DNA-binding protein 0.0126 0.502 1
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.095 0.2281
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.095 0.0149
Brugia malayi RNA recognition motif domain containing protein 0.0126 0.502 1
Loa Loa (eye worm) TAR-binding protein 0.0126 0.502 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0994 0.2467
Loa Loa (eye worm) hypothetical protein 0.0037 0.095 0.1893
Mycobacterium tuberculosis Conserved protein 0.0037 0.095 0.0149
Schistosoma mansoni transient receptor potential channel 4 0.0097 0.3686 0.7101
Plasmodium vivax DNA polymerase delta catalytic subunit, putative 0.0076 0.2749 1
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.0076 0.2749 0.5064
Loa Loa (eye worm) beta-lactamase 0.0037 0.095 0.1893
Schistosoma mansoni lamin 0.003 0.0632 0.0464
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0994 0.125
Echinococcus granulosus transient receptor potential ion channel A 0.0094 0.3539 0.6781
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0994 0.2467
Toxoplasma gondii ABC1 family protein 0.0037 0.095 0.2281
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0062 0.2112 0.7266
Loa Loa (eye worm) hypothetical protein 0.0037 0.095 0.1893
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.095 0.0149
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.095 0.0149
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.0076 0.2749 1
Onchocerca volvulus 0.0037 0.095 0.2281
Brugia malayi DNA polymerase family B containing protein 0.0025 0.0419 0.0834
Echinococcus multilocularis transient receptor potential ion channel A 0.0094 0.3539 0.6781
Loa Loa (eye worm) hypothetical protein 0.0036 0.0913 0.1819
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.095 0.1893
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.095 0.2281
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.095 0.0149
Loa Loa (eye worm) hypothetical protein 0.0025 0.0419 0.0834
Echinococcus granulosus lamin 0.003 0.0632 0.0464
Schistosoma mansoni tar DNA-binding protein 0.0126 0.502 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0994 0.2467
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0994 0.2467
Brugia malayi TAR-binding protein 0.0126 0.502 1
Plasmodium vivax hypothetical protein, conserved 0.0037 0.095 0.2281
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0994 0.2467
Echinococcus granulosus intermediate filament protein 0.003 0.0632 0.0464
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.095 0.2281
Leishmania major DNA polymerase delta catalytic subunit, putative 0.0076 0.2749 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.095 0.2281
Echinococcus multilocularis transient receptor potential gamma protein 0.0097 0.3686 0.7101
Brugia malayi beta-lactamase family protein 0.0037 0.095 0.1893
Echinococcus multilocularis lamin dm0 0.003 0.0632 0.0464
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.095 0.1155
Schistosoma mansoni transient receptor potential channel 0.0097 0.3686 0.7101
Schistosoma mansoni tar DNA-binding protein 0.0126 0.502 1
Onchocerca volvulus 0.003 0.0632 0.0916
Schistosoma mansoni tar DNA-binding protein 0.0126 0.502 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.095 0.1155
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1289 0.1891
Echinococcus granulosus short transient receptor potential channel 6 0.0064 0.2191 0.3852
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.095 0.0149
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.0076 0.2749 0.5064
Schistosoma mansoni inositol monophosphatase 0.0038 0.0994 0.125
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.095 0.1893
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.095 0.0149
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.0076 0.2749 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.095 0.1893
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1289 0.1891
Loa Loa (eye worm) inositol-1 0.0038 0.0994 0.1979
Brugia malayi beta-lactamase family protein 0.0037 0.095 0.1893
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.0076 0.2749 0.5476
Mycobacterium tuberculosis Conserved protein 0.0037 0.095 0.0149
Onchocerca volvulus 0.0037 0.095 0.2281
Brugia malayi DNA polymerase delta catalytic subunit 0.0076 0.2749 0.5476
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1289 0.2567
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.095 0.2281
Echinococcus granulosus short transient receptor potential channel 6 0.0064 0.2191 0.3852
Loa Loa (eye worm) hypothetical protein 0.003 0.0632 0.1259
Toxoplasma gondii DNA polymerase 0.0076 0.2749 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.095 0.2281
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1289 0.1891
Onchocerca volvulus 0.0037 0.095 0.2281
Brugia malayi RNA binding protein 0.0126 0.502 1
Schistosoma mansoni transient receptor potential channel 0.0064 0.2191 0.3852
Mycobacterium leprae Probable lipase LipE 0.0037 0.095 1
Brugia malayi Transient-receptor-potential like protein 0.0036 0.0913 0.1819
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0632 0.1259
Loa Loa (eye worm) RNA binding protein 0.0126 0.502 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0126 0.502 1
Brugia malayi intermediate filament protein 0.003 0.0632 0.1259
Echinococcus granulosus lamin dm0 0.003 0.0632 0.0464
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1289 0.2567
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0632 0.1259
Leishmania major hypothetical protein, conserved 0.0037 0.095 0.2281
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0994 0.125
Giardia lamblia DNA polymerase delta, catalytic subunit 0.0076 0.2749 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.095 0.1893
Loa Loa (eye worm) hypothetical protein 0.0037 0.095 0.1893
Brugia malayi Inositol-1 0.0038 0.0994 0.1979
Mycobacterium tuberculosis Conserved protein 0.0037 0.095 0.0149
Loa Loa (eye worm) intermediate filament protein 0.003 0.0632 0.1259
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.095 0.0149
Schistosoma mansoni inositol monophosphatase 0.0038 0.0994 0.125
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0036 0.0913 0.1074
Echinococcus multilocularis musashi 0.003 0.0632 0.0464
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1289 0.1891
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1289 0.1891
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.095 0.1155
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.0076 0.2749 1
Schistosoma mansoni transient receptor potential channel 0.0064 0.2191 0.3852
Loa Loa (eye worm) hypothetical protein 0.0029 0.0607 0.1209
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0994 0.2467
Onchocerca volvulus 0.003 0.0632 0.0916
Echinococcus multilocularis tar DNA binding protein 0.0126 0.502 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.095 0.1155
Schistosoma mansoni intermediate filament proteins 0.003 0.0632 0.0464
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.0076 0.2749 1
Mycobacterium leprae conserved hypothetical protein 0.0037 0.095 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.3686 0.7343
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.0076 0.2749 0.5
Schistosoma mansoni lamin 0.003 0.0632 0.0464
Echinococcus multilocularis short transient receptor potential channel 6 0.0064 0.2191 0.3852
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0994 0.2467
Echinococcus granulosus TRP transient receptor potential channel 0.0036 0.0913 0.1074

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.