Detailed information for compound 107183

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 339.384 | Formula: C17H25NO6
  • H donors: 1 H acceptors: 3 LogP: 2.72 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCOC(=O)c1[nH]c(c(c1C)C(=O)OC(C)(C)C)COC(=O)C
  • InChi: 1S/C17H25NO6/c1-7-8-22-16(21)14-10(2)13(15(20)24-17(4,5)6)12(18-14)9-23-11(3)19/h18H,7-9H2,1-6H3
  • InChiKey: HCSBWXKXWZKRTB-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Metabotropic glutamate receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus metabotropic glutamate receptor 2 Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum ko:K04606 glutamate receptor, metabotropic 3, putative Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma mansoni metabotropic glutamate receptor Get druggable targets OG5_127095 All targets in OG5_127095
Brugia malayi Metabotropic glutamate receptor precursor. Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum Metabotropic glutamate receptor precursor, putative Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127095 All targets in OG5_127095
Loa Loa (eye worm) glutamate receptor Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus multilocularis metabotropic glutamate receptor 5 Get druggable targets OG5_127095 All targets in OG5_127095
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus multilocularis metabotropic glutamate receptor 2 Get druggable targets OG5_127095 All targets in OG5_127095
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus granulosus metabotropic glutamate receptor 5 Get druggable targets OG5_127095 All targets in OG5_127095

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
Toxoplasma gondii zinc carboxypeptidase superfamily protein 0.0048 0.1226 0.5
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0048 0.1226 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1226 0.1498
Echinococcus granulosus cytosolic carboxypeptidase 1 0.0048 0.1226 0.1226
Echinococcus granulosus Zinc carboxypeptidase family protein 0.0048 0.1226 0.1226
Echinococcus granulosus metabotropic glutamate receptor 2 0.0041 0.0963 0.0963
Toxoplasma gondii flagellar/basal body protein 0.0048 0.1226 0.5
Brugia malayi Zinc carboxypeptidase family protein 0.0048 0.1226 0.9692
Loa Loa (eye worm) hypothetical protein 0.0048 0.1226 0.1498
Onchocerca volvulus 0.0279 1 1
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0048 0.1226 1
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14 0.0048 0.1226 1
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0048 0.1226 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1226 0.1498
Schistosoma mansoni protease m14 carboxypeptidase 0.0048 0.1226 0.1226
Echinococcus granulosus metabotropic glutamate receptor 5 0.006 0.1694 0.1694
Giardia lamblia Nuclear ATP/GTP-binding protein 0.0048 0.1226 1
Trypanosoma brucei metallo-peptidase, Clan MC, Family M14, putative 0.0048 0.1226 1
Brugia malayi Zinc carboxypeptidase family protein 0.0048 0.1226 0.9692
Plasmodium falciparum nitric oxide synthase, putative 0.0025 0.0367 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.1226 0.1498
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14, putative 0.0048 0.1226 1
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0048 0.1226 1
Trypanosoma brucei Carboxypeptidase-like protein 0.0048 0.1226 1
Brugia malayi Zinc carboxypeptidase family protein 0.0048 0.1226 0.9692
Loa Loa (eye worm) glutamate receptor 0.0049 0.1265 0.1546
Schistosoma mansoni metabotropic glutamate receptor 0.0041 0.0963 0.0963
Schistosoma mansoni subfamily M14A unassigned peptidase (M14 family) 0.0279 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1226 0.1498
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0048 0.1226 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0056 0.1519 0.1519
Schistosoma mansoni cytochrome P450 reductase 0.0025 0.0367 0.0367
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0025 0.0367 0.0367
Plasmodium vivax hypothetical protein, conserved 0.0048 0.1226 1
Loa Loa (eye worm) glutamate receptor 0.0019 0.0138 0.0169
Leishmania major p450 reductase, putative 0.0025 0.0367 0.1127
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0048 0.1226 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0025 0.0367 0.0367
Brugia malayi Metabotropic glutamate receptor precursor. 0.0049 0.1265 1
Toxoplasma gondii zinc carboxypeptidase superfamily protein 0.0048 0.1226 0.5
Schistosoma mansoni family M14 non-peptidase homologue (M14 family) 0.0048 0.1226 0.1226
Loa Loa (eye worm) hypothetical protein 0.0048 0.1226 0.1498
Echinococcus multilocularis cytosolic carboxypeptidase protein 5 0.0048 0.1226 0.1226
Trypanosoma cruzi zinc carboxypeptidase, putative 0.0048 0.1226 1
Trichomonas vaginalis sulfite reductase, putative 0.0025 0.0367 0.1127
Schistosoma mansoni metallocarboxypeptidase D peptidase unit 2 (M14 family) 0.0048 0.1226 0.1226
Loa Loa (eye worm) hypothetical protein 0.0048 0.1226 0.1498
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0041 0.0963 0.0963
Loa Loa (eye worm) hypothetical protein 0.0048 0.1226 0.1498
Echinococcus multilocularis Zinc carboxypeptidase family protein 0.0048 0.1226 0.1226
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0048 0.1226 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0025 0.0367 0.0367
Giardia lamblia Nuclear ATP/GTP-binding protein 0.0048 0.1226 1
Loa Loa (eye worm) zinc carboxypeptidase 0.0048 0.1226 0.1498
Onchocerca volvulus Subfamily M14A unassigned peptidase homolog 0.0279 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0367 0.0449
Loa Loa (eye worm) zinc carboxypeptidase 0.0048 0.1226 0.1498
Schistosoma mansoni hypothetical protein 0.0048 0.1226 0.1226
Trypanosoma cruzi Carboxypeptidase-like protein 0.0048 0.1226 1
Loa Loa (eye worm) zinc carboxypeptidase 0.0048 0.1226 0.1498
Trypanosoma brucei metallo-peptidase, Clan MC, Family M14, putative 0.0048 0.1226 1
Brugia malayi metabotropic glutamate receptor type 2 0.0024 0.0313 0.2472
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0025 0.0367 0.5
Brugia malayi FAD binding domain containing protein 0.0025 0.0367 0.2903
Loa Loa (eye worm) hypothetical protein 0.0048 0.1226 0.1498
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0048 0.1226 1
Onchocerca volvulus 0.0279 1 1
Echinococcus multilocularis 0.0048 0.1226 0.1226
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0048 0.1226 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.006 0.1694 0.1694
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0048 0.1226 1
Schistosoma mansoni metabotropic glutamate receptor 0.0024 0.0313 0.0313
Brugia malayi Zinc carboxypeptidase family protein 0.0048 0.1226 0.9692
Schistosoma mansoni peptidase 0.0048 0.1226 0.1226
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0048 0.1226 1
Echinococcus multilocularis subfamily M14A unassigned peptidase 0.0279 1 1
Onchocerca volvulus 0.0279 1 1
Brugia malayi Zinc carboxypeptidase family protein 0.0048 0.1226 0.9692
Loa Loa (eye worm) hypothetical protein 0.0231 0.8182 1
Brugia malayi Carboxypeptidase A2 precursor 0.0048 0.1226 0.9692
Schistosoma mansoni peptidase 0.0048 0.1226 0.1226
Brugia malayi Zinc carboxypeptidase family protein 0.0048 0.1226 0.9692
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0044 0.109 0.8619
Loa Loa (eye worm) zinc carboxypeptidase 0.0048 0.1226 0.1498
Brugia malayi Zinc carboxypeptidase family protein 0.0048 0.1226 0.9692
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0025 0.0367 0.0367
Onchocerca volvulus 0.0279 1 1
Brugia malayi flavodoxin family protein 0.0025 0.0367 0.2903
Giardia lamblia Nuclear ATP/GTP-binding protein 0.0048 0.1226 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0025 0.0367 0.0449
Brugia malayi Zinc carboxypeptidase family protein 0.0048 0.1226 0.9692
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0048 0.1226 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0025 0.0367 0.1127
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0048 0.1226 1
Schistosoma mansoni carboxypeptidase N (M14 family) 0.0048 0.1226 0.1226
Chlamydia trachomatis sulfite reductase 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1694 0.207
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0048 0.1226 1
Toxoplasma gondii zinc carboxypeptidase, putative 0.0048 0.1226 0.5
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14, putative 0.0048 0.1226 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1226 0.1498
Echinococcus granulosus cytosolic carboxypeptidase protein 5 0.0048 0.1226 0.1226
Schistosoma mansoni peptidase 0.0048 0.1226 0.1226
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0025 0.0367 0.1127

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.7 uM In vitro inhibition of rat metabotropic glutamate receptor 1 in CHO cells using the CDP-DAG accumulation method. ChEMBL. 12798316
IC50 (binding) = 2.7 uM In vitro inhibition of rat metabotropic glutamate receptor 1 in CHO cells using the CDP-DAG accumulation method. ChEMBL. 12798316

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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