Detailed information for compound 1397055

Basic information

Technical information
  • TDR Targets ID: 1397055
  • Name: [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate
  • MW: 263.289 | Formula: C14H17NO4
  • H donors: 1 H acceptors: 2 LogP: 1.38 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1CNC(=O)COC(=O)C1CC1
  • InChi: 1S/C14H17NO4/c1-18-12-5-3-2-4-11(12)8-15-13(16)9-19-14(17)10-6-7-10/h2-5,10H,6-9H2,1H3,(H,15,16)
  • InChiKey: AROCOSHVZREFNG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl] cyclopropanecarboxylate
  • cyclopropanecarboxylic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester
  • cyclopropanecarboxylic acid [2-keto-2-[(2-methoxybenzyl)amino]ethyl] ester
  • T0516-0187
  • ZINC03313033

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
Echinococcus multilocularis voltage gated potassium channel 0.0098 0.1377 0.1528
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.034 0.9012 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0067 0.0389 0.0432
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0317 0.8305 1
Echinococcus granulosus voltage gated potassium channel 0.0098 0.1377 0.1528
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0067 0.0389 0.0432
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.034 0.9012 1
Brugia malayi Cytochrome P450 family protein 0.0082 0.086 0.0955
Echinococcus granulosus hyperpolarization activated cyclic 0.0067 0.0389 0.0432
Loa Loa (eye worm) cytochrome P450 family protein 0.0082 0.086 0.0955
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0067 0.0389 0.0432
Echinococcus granulosus hyperpolarization activated cyclic 0.0067 0.0389 0.0432
Loa Loa (eye worm) hypothetical protein 0.0098 0.1377 0.1528
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0082 0.086 1
Trypanosoma cruzi cytochrome P450, putative 0.0082 0.086 1
Loa Loa (eye worm) hypothetical protein 0.0295 0.7593 0.8425
Schistosoma mansoni voltage-gated potassium channel 0.0098 0.1377 0.1377
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0067 0.0389 0.0432
Echinococcus multilocularis hyperpolarization activated cyclic 0.0067 0.0389 0.0432
Brugia malayi Cyclic-nucleotide gated cation channel 0.0067 0.0389 0.0432
Brugia malayi Cytochrome P450 family protein 0.0173 0.3748 0.4159
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0098 0.1377 0.1528
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0067 0.0389 0.0432
Loa Loa (eye worm) hypothetical protein 0.0067 0.0389 0.0432
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0067 0.0389 0.0432
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0067 0.0389 0.0389
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0317 0.8305 1
Trypanosoma brucei cytochrome P450, putative 0.0082 0.086 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0067 0.0389 0.0432
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0098 0.1377 0.1528
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0067 0.0389 0.0432
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0067 0.0389 0.0432
Brugia malayi Cytochrome P450 family protein 0.0082 0.086 0.0955
Loa Loa (eye worm) cytochrome P450 family protein 0.0082 0.086 0.0955
Loa Loa (eye worm) CYP4Cod1 0.0082 0.086 0.0955
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0389 0.0389
Echinococcus granulosus potassium voltage gated channel subfamily H 0.034 0.9012 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0067 0.0389 0.0389
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.034 0.9012 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0173 0.3748 0.4159
Trypanosoma cruzi cytochrome P450, putative 0.0082 0.086 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0067 0.0389 0.0389
Leishmania major cytochrome p450-like protein 0.0082 0.086 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0067 0.0389 0.0389
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0067 0.0389 0.0389
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0098 0.1377 0.1528
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0067 0.0389 0.0432
Schistosoma mansoni voltage-gated potassium channel 0.0098 0.1377 0.1377

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference

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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