Detailed information for compound 288487

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 283.322 | Formula: C17H17NO3
  • H donors: 1 H acceptors: 3 LogP: 2.66 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C1(C)CCn2c1cc(c2C(=O)c1ccccc1)C
  • InChi: 1S/C17H17NO3/c1-11-10-13-17(2,16(20)21)8-9-18(13)14(11)15(19)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,20,21)
  • InChiKey: XRVLDSVAJCGTNG-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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 granulosus UDP N acetylglucosamine dolichyl phosphate 0.1524 0.0404 1
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0759 0.0193 0.4773
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.1524 0.0404 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0078 0.0005 0.0122
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0078 0.0005 0.0122
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 1.3803 0.3791 0.5
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 3.6313 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0005 0.0122
Echinococcus multilocularis growth factor receptor bound protein 2 0.0759 0.0193 0.4773
Loa Loa (eye worm) hypothetical protein 0.0078 0.0005 0.0122
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1524 0.0404 0.5
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.1524 0.0404 0.5
Echinococcus granulosus growth factor receptor bound protein 2 0.0759 0.0193 0.4773
Echinococcus multilocularis acetylcholinesterase 0.0078 0.0005 0.0122
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 3.6313 1 0.5
Echinococcus granulosus acetylcholinesterase 0.0078 0.0005 0.0122
Onchocerca volvulus 0.1524 0.0404 0.5
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 3.6313 1 0.5
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1524 0.0404 1
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 1.3803 0.3791 0.5
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1524 0.0404 0.5
Echinococcus granulosus acetylcholinesterase 0.0078 0.0005 0.0122
Loa Loa (eye worm) carboxylesterase 0.0078 0.0005 0.0122
Loa Loa (eye worm) hypothetical protein 0.1524 0.0404 1
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1524 0.0404 1
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1524 0.0404 0.5
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.1524 0.0404 0.5
Brugia malayi Sex muscle abnormal protein 5 0.0759 0.0193 0.4773
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1524 0.0404 0.5
Echinococcus multilocularis carboxylesterase 5A 0.0078 0.0005 0.0122
Schistosoma mansoni growth factor receptor-bound protein 0.0759 0.0193 0.4773
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.1524 0.0404 0.5
Brugia malayi Carboxylesterase family protein 0.0078 0.0005 0.0122
Echinococcus multilocularis acetylcholinesterase 0.0078 0.0005 0.0122
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.1524 0.0404 0.5
Brugia malayi Carboxylesterase family protein 0.0078 0.0005 0.0122
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1524 0.0404 1
Echinococcus granulosus carboxylesterase 5A 0.0078 0.0005 0.0122
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1524 0.0404 0.5
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1524 0.0404 0.5
Schistosoma mansoni growth factor receptor-bound protein 0.0759 0.0193 0.4773

Activities

Activity type Activity value Assay description Source Reference
ED30 (functional) < 7 mg kg-1 Antiinflammatory activity was determined by inhibition of carrageenan-induced edema in rat paw with respect to phenylbutazone ChEMBL. 3572970
ED50 (functional) = 40 mg kg-1 Analgesic activity in mice by phenyl quinone-induced writhing assay with respect to aspirin. ChEMBL. 3572970

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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