Detailed information for compound 883643

Basic information

Technical information
  • TDR Targets ID: 883643
  • Name: ethyl 3-[2-(2,6-dimethoxypyridine-3-carbonyl) pyrazolidin-1-yl]-3-oxopropanoate
  • MW: 351.354 | Formula: C16H21N3O6
  • H donors: 0 H acceptors: 4 LogP: 1.13 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CC(=O)N1CCCN1C(=O)c1ccc(nc1OC)OC
  • InChi: 1S/C16H21N3O6/c1-4-25-14(21)10-13(20)18-8-5-9-19(18)16(22)11-6-7-12(23-2)17-15(11)24-3/h6-7H,4-5,8-10H2,1-3H3
  • InChiKey: NPMUIOFLTKDTHZ-UHFFFAOYSA-N  

Network

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Synonyms

  • ethyl 3-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-3-oxo-propanoate
  • 3-[2-[(2,6-dimethoxy-3-pyridyl)-oxomethyl]-1-pyrazolidinyl]-3-oxopropanoic acid ethyl ester
  • 3-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-3-keto-propionic acid ethyl ester
  • ethyl 3-[2-(2,6-dimethoxypyridin-3-yl)carbonylpyrazolidin-1-yl]-3-oxo-propanoate
  • Oprea1_743973

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 falciparum plasmepsin I 0.0128 0.0638 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0209 0.1434 0.1531
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.1888 0.2405
Echinococcus granulosus neuroendocrine convertase 2 0.0681 0.6054 0.5784
Trichomonas vaginalis conserved hypothetical protein 0.0209 0.1434 0.1531
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0658 0.5834 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.1888 0.2405
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0128 0.0638 0.0638
Trichomonas vaginalis conserved hypothetical protein 0.0209 0.1434 0.1531
Echinococcus granulosus Furin 1 0.0256 0.1888 0.1335
Schistosoma mansoni cathepsin D (A01 family) 0.0313 0.2449 0.1934
Giardia lamblia High cysteine membrane protein Group 2 0.0402 0.3326 1
Brugia malayi Myb-like DNA-binding domain containing protein 0.0179 0.1132 0.1132
Trichomonas vaginalis hypothetical protein 0.0209 0.1434 0.1531
Plasmodium falciparum plasmepsin II 0.0128 0.0638 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0209 0.1434 0.1531
Plasmodium falciparum plasmepsin VI 0.0128 0.0638 0.5
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0658 0.5834 0.7111
Trichomonas vaginalis conserved hypothetical protein 0.0209 0.1434 0.1531
Schistosoma mansoni memapsin-2 (A01 family) 0.0859 0.7804 0.7654
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.1888 0.2405
Echinococcus multilocularis lysine specific histone demethylase 1A 0.022 0.1535 0.1227
Loa Loa (eye worm) hypothetical protein 0.1083 1 1
Loa Loa (eye worm) hypothetical protein 0.022 0.1535 0.1535
Trichomonas vaginalis conserved hypothetical protein 0.0209 0.1434 0.1531
Trichomonas vaginalis conserved hypothetical protein 0.0209 0.1434 0.1531
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.1888 0.2405
Brugia malayi celfurPC protein 0.0874 0.7946 0.7946
Echinococcus granulosus furin 0.1083 1 1
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0658 0.5834 0.555
Loa Loa (eye worm) hypothetical protein 0.022 0.1535 0.1535
Brugia malayi neuroendocrine convertase 1 precursor 0.0681 0.6054 0.6054
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0209 0.1434 0.1531
Schistosoma mansoni hypothetical protein 0.0209 0.1434 0.085
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.1083 1 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.1888 0.2405
Schistosoma mansoni Lysine-specific histone demethylase 1 0.022 0.1535 0.0958
Loa Loa (eye worm) hypothetical protein 0.0128 0.0638 0.0638
Schistosoma mansoni cathepsin D (A01 family) 0.0313 0.2449 0.1934
Trichomonas vaginalis conserved hypothetical protein 0.0209 0.1434 0.1531
Plasmodium falciparum plasmepsin IV 0.0128 0.0638 0.5
Plasmodium vivax plasmepsin IV, putative 0.0128 0.0638 0.5
Echinococcus multilocularis neuroendocrine convertase 2 0.0681 0.6054 0.7411
Onchocerca volvulus 0.0238 0.1718 1
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0209 0.1434 0.1531
Loa Loa (eye worm) hypothetical protein 0.0179 0.1132 0.1132
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0209 0.1434 0.1531
Loa Loa (eye worm) hypothetical protein 0.0184 0.1183 0.1183
Brugia malayi proprotein convertase 2 0.0681 0.6054 0.6054
Loa Loa (eye worm) hypothetical protein 0.0425 0.3545 0.3545
Trichomonas vaginalis conserved hypothetical protein 0.0209 0.1434 0.1531
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0256 0.1888 0.1335
Plasmodium vivax aspartyl proteinase, putative 0.0128 0.0638 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.1888 0.2405
Loa Loa (eye worm) endoprotease bli-4 0.1083 1 1
Brugia malayi SWIRM domain containing protein 0.0238 0.1718 0.1718
Toxoplasma gondii aspartyl protease ASP1 0.0128 0.0638 0.5
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0128 0.0638 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0658 0.5834 1
Loa Loa (eye worm) proprotein convertase 2 0.0256 0.1888 0.1888
Echinococcus granulosus lysine specific histone demethylase 1A 0.022 0.1535 0.0958
Trichomonas vaginalis conserved hypothetical protein 0.0209 0.1434 0.1531
Trichomonas vaginalis conserved hypothetical protein 0.0209 0.1434 0.1531
Echinococcus multilocularis Furin 1 0.0256 0.1888 0.171
Schistosoma mansoni furin-1 (S08 family) 0.0471 0.3999 0.359
Echinococcus multilocularis 0.0874 0.7946 1
Loa Loa (eye worm) hypothetical protein 0.0238 0.1718 0.1718

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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