Detailed information for compound 1495275

Basic information

Technical information
  • TDR Targets ID: 1495275
  • Name: [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-ac etamidobenzoate
  • MW: 370.356 | Formula: C19H18N2O6
  • H donors: 2 H acceptors: 4 LogP: 1.71 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C(=O)NC(=O)COC(=O)c1cccc(c1)NC(=O)C
  • InChi: 1S/C19H18N2O6/c1-12(22)20-14-7-5-6-13(10-14)19(25)27-11-17(23)21-18(24)15-8-3-4-9-16(15)26-2/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23,24)
  • InChiKey: XRVKMLACSHOJAH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(2-methoxybenzoyl)amino]-2-oxo-ethyl] 3-acetamidobenzoate
  • 3-acetamidobenzoic acid [2-[[(2-methoxyphenyl)-oxomethyl]amino]-2-oxoethyl] ester
  • 3-acetamidobenzoic acid [2-keto-2-[(2-methoxybenzoyl)amino]ethyl] ester
  • [2-[(2-methoxyphenyl)carbonylamino]-2-oxo-ethyl] 3-acetamidobenzoate
  • ZINC03521397

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 g protein coupled receptor 0.0022 0.0348 0.0668
Loa Loa (eye worm) hypothetical protein 0.0025 0.0502 0.016
Echinococcus multilocularis dro:myosuppressin receptor 0.0022 0.0348 0.0668
Echinococcus multilocularis neuropeptide s receptor 0.0022 0.0348 0.0668
Onchocerca volvulus 0.0025 0.0502 0.0319
Brugia malayi Furin-like cysteine rich region family protein 0.0054 0.1976 0.1686
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0022 0.0348 0.0668
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0348 0.0668
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0022 0.0348 0.0668
Echinococcus multilocularis epidermal growth factor receptor 0.0054 0.1976 0.3787
Schistosoma mansoni tyrosine kinase 0.0118 0.5216 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0348 0.0668
Echinococcus multilocularis G protein coupled receptor 139 0.0022 0.0348 0.0668
Echinococcus multilocularis insulin receptor 0.0118 0.5216 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0118 0.5216 1
Echinococcus multilocularis neuropeptide receptor A26 0.0022 0.0348 0.0668
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0348 0.0668
Echinococcus multilocularis allatostatin A receptor 0.0022 0.0348 0.0668
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0022 0.0348 0.0668
Schistosoma mansoni tyrosine kinase 0.0054 0.1976 0.3343
Schistosoma mansoni hypothetical protein 0.0025 0.0502 0.0316
Schistosoma mansoni hypothetical protein 0.0025 0.0502 0.0316
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0022 0.0348 0.0668
Loa Loa (eye worm) hypothetical protein 0.0118 0.518 0.5008
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0022 0.0348 0.0668
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0348 0.0668
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0348 0.0668
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0022 0.0348 0.0668
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0054 0.1976 0.3343
Echinococcus granulosus insulin receptor 0.0118 0.5216 1
Echinococcus multilocularis fmrfamide receptor 0.0022 0.0348 0.0668
Echinococcus multilocularis neuropeptide Y receptor 0.0022 0.0348 0.0668
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0348 0.0668
Echinococcus multilocularis orexin receptor type 2 0.0022 0.0348 0.0668
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0022 0.0348 0.0668
Echinococcus multilocularis neuropeptide receptor 0.0022 0.0348 0.0668
Echinococcus multilocularis neuropeptides capa receptor 0.0022 0.0348 0.0668
Echinococcus multilocularis neuropeptide receptor 0.0022 0.0348 0.0668
Loa Loa (eye worm) TK/INSR protein kinase 0.0118 0.5216 0.5046
Schistosoma mansoni tyrosine kinase 0.0052 0.188 0.3146
Echinococcus multilocularis serotonin receptor 0.0022 0.0348 0.0668
Echinococcus multilocularis g protein coupled receptor 0.0022 0.0348 0.0668
Onchocerca volvulus 0.0025 0.0502 0.0319
Brugia malayi Protein kinase domain containing protein 0.0066 0.256 0.2292
Echinococcus multilocularis neuropeptide FF receptor 2 0.0022 0.0348 0.0668
Loa Loa (eye worm) hypothetical protein 0.0025 0.0502 0.016
Echinococcus multilocularis somatostatin receptor 0.0022 0.0348 0.0668
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0348 0.0668
Brugia malayi ecdysteroid receptor 0.0118 0.518 0.5006
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0022 0.0348 0.0668
Schistosoma mansoni tyrosine kinase 0.0118 0.5216 1
Loa Loa (eye worm) TK/ALK protein kinase 0.0213 0.9996 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0022 0.0348 0.0668
Echinococcus multilocularis serotonin receptor 0.0022 0.0348 0.0668
Echinococcus multilocularis g-protein coupled receptor 0.0022 0.0348 0.0668
Echinococcus granulosus epidermal growth factor receptor 0.0054 0.1976 0.3343
Loa Loa (eye worm) hypothetical protein 0.0064 0.2464 0.2193
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0118 0.5216 1
Echinococcus multilocularis MAM 0.0025 0.0502 0.0963
Echinococcus multilocularis g protein coupled receptor 0.0022 0.0348 0.0668
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0022 0.0348 0.0668
Brugia malayi Protein kinase domain containing protein 0.0118 0.5216 0.5044
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0022 0.0348 0.0668
Loa Loa (eye worm) TK/EGFR protein kinase 0.0054 0.1976 0.1687
Loa Loa (eye worm) hypothetical protein 0.0025 0.0502 0.016
Schistosoma mansoni tyrosine kinase 0.0054 0.1976 0.3343
Brugia malayi hypothetical protein 0.0025 0.0502 0.0159
Echinococcus multilocularis sex peptide receptor 0.0022 0.0348 0.0668
Echinococcus multilocularis epidermal growth factor receptor 0.0054 0.1976 0.3787
Echinococcus multilocularis neuropeptides capa receptor 0.0022 0.0348 0.0668
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0022 0.0348 0.0668
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0022 0.0348 0.0668
Schistosoma mansoni tyrosine kinase 0.0052 0.188 0.3146
Schistosoma mansoni tyrosine kinase 0.0054 0.1976 0.3343
Echinococcus multilocularis fmrfamide receptor 0.0022 0.0348 0.0668
Echinococcus granulosus MAM 0.0025 0.0502 0.0316
Loa Loa (eye worm) hypothetical protein 0.0186 0.8622 0.8575
Echinococcus multilocularis neuropeptide Y receptor 0.0022 0.0348 0.0668
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0022 0.0348 0.0668
Schistosoma mansoni tyrosine kinase 0.0052 0.188 0.3146
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0348 0.0668
Echinococcus granulosus epidermal growth factor receptor 0.0054 0.1976 0.3343
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0022 0.0348 0.0668
Onchocerca volvulus Bile acid receptor homolog 0.0118 0.518 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) 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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