Detailed information for compound 231143

Basic information

Technical information
  • TDR Targets ID: 231143
  • Name: (1S,3aR,7aS)-4,4-dimethyl-6-oxo-1,2,3,3a,7,7a -hexahydropyrano[3,4-c]pyrrole-1-carboxylic a cid
  • MW: 213.23 | Formula: C10H15NO4
  • H donors: 2 H acceptors: 3 LogP: -2.35 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C[C@@H]2[C@H](NC[C@@H]2C(O1)(C)C)C(=O)O
  • InChi: 1S/C10H15NO4/c1-10(2)6-4-11-8(9(13)14)5(6)3-7(12)15-10/h5-6,8,11H,3-4H2,1-2H3,(H,13,14)/t5-,6-,8-/m0/s1
  • InChiKey: GPHFPCZKKXKXCJ-HAFWLYHUSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (1S,3aR,7aS)-6-keto-4,4-dimethyl-1,2,3,3a,7,7a-hexahydropyrano[3,4-c]pyrrole-1-carboxylic acid
  • (1S,3aR,7aS)-4,4-dimethyl-6-oxo-1,2,3,3a,7,7a-hexahydropyrano[4,3-c]pyrrole-1-carboxylic acid
  • (1S,3aR,7aS)-6-keto-4,4-dimethyl-1,2,3,3a,7,7a-hexahydropyrano[4,3-c]pyrrole-1-carboxylic acid

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 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0126 0.0263 0.0263
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0157 0.0611 0.0358
Schistosoma mansoni Fxna peptidase (M28 family) 0.0157 0.0611 0.0611
Loa Loa (eye worm) hypothetical protein 0.0157 0.0611 0.0358
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0204 0.1148 0.0909
Loa Loa (eye worm) hypothetical protein 0.0204 0.1148 0.0909
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0204 0.1148 1
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0157 0.0611 0.0358
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0204 0.1148 1
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0157 0.0611 0.0358
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0181 0.0885 0.5098
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0204 0.1148 0.0909
Loa Loa (eye worm) FAD binding domain-containing protein 0.0204 0.1148 0.0909
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0204 0.1148 1
Trypanosoma cruzi p450 reductase, putative 0.0204 0.1148 1
Schistosoma mansoni cytochrome P450 reductase 0.0204 0.1148 0.1148
Brugia malayi leucyl aminopeptidase 0.0157 0.0611 0.0358
Giardia lamblia Hypothetical protein 0.0181 0.0885 0.5
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0157 0.0611 0.0611
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0204 0.1148 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.0611 0.0358
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0157 0.0611 0.0358
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0987 1 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.0611 0.0358
Brugia malayi FXNA 0.0157 0.0611 0.0358
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0204 0.1148 1
Brugia malayi nicalin 0.0157 0.0611 0.0358
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0204 0.1148 0.0909
Toxoplasma gondii hypothetical protein 0.0157 0.0611 0.5
Leishmania major p450 reductase, putative 0.0204 0.1148 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0204 0.1148 1
Giardia lamblia Nitric oxide synthase, inducible 0.0181 0.0885 0.5
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0157 0.0611 0.0358
Loa Loa (eye worm) hypothetical protein 0.0987 1 1
Plasmodium falciparum nitric oxide synthase, putative 0.0204 0.1148 0.5
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0204 0.1148 1
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0157 0.0611 0.0611
Mycobacterium tuberculosis Conserved protein 0.0157 0.0611 0.5
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0204 0.1148 1
Loa Loa (eye worm) leucyl aminopeptidase 0.0157 0.0611 0.0358
Toxoplasma gondii peptidase, M28 family protein 0.0157 0.0611 0.5
Loa Loa (eye worm) hypothetical protein 0.0157 0.0611 0.0358
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0987 1 1
Brugia malayi flavodoxin family protein 0.0204 0.1148 0.0909
Leishmania major cytochrome P450 reductase, putative 0.0181 0.0885 0.5098
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0157 0.0611 0.5
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0204 0.1148 0.0909
Schistosoma mansoni nicalin (M28 family) 0.0157 0.0611 0.0611
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0204 0.1148 1
Trichomonas vaginalis sulfite reductase, putative 0.0204 0.1148 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0204 0.1148 1
Chlamydia trachomatis sulfite reductase 0.0126 0.0263 0.5
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0987 1 1
Brugia malayi FAD binding domain containing protein 0.0204 0.1148 0.0909
Onchocerca volvulus Glutaminyl cyclase homolog 0.0987 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.3 mM Concentration at which the compound inhibits half of the response of N-methyl-D-aspartic acid (NMDA) ChEMBL. 6827527
IC50 (functional) = 3 mM Concentration at which the compound inhibits half of the response of kainic acid (KA) ChEMBL. 6827527
Response (functional) < 16 % Percentage response to 30 microM of N-methyl-D-aspartic acid (NMDA) at 2 mM of the compound in rat striatum slices. ChEMBL. 6827527
Response (functional) = 66 % Percentage response to 0.1 mM of kainic acid (KA) at 2 mM of the compound in rat striatum slices. ChEMBL. 6827527
Response (functional) = 94 % Percentage response to 0.1 mM of quisqualic acid at 2 mM of the compound in rat striatum slices. ChEMBL. 6827527
Response (functional) = 96 % Percentage response to 0.5 mM of L-Glutamic acid at 2 mM of the compound in rat striatum slices. ChEMBL. 6827527

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

1 literature reference was collected for this gene.

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