Detailed information for compound 1802511

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 312.363 | Formula: C18H20N2O3
  • H donors: 2 H acceptors: 2 LogP: 3.04 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cccc(c1)NC(=O)N[C@H](c1ccccc1)C
  • InChi: 1S/C18H20N2O3/c1-3-23-17(21)15-10-7-11-16(12-15)20-18(22)19-13(2)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3,(H2,19,20,22)/t13-/m0/s1
  • InChiKey: SLOMJAZUWPWGSY-ZDUSSCGKSA-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
Onchocerca volvulus 0.0241 0.4144 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0068 0.0876 0.2678
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0077 0.1053 0.5229
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.0108 0.1629 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0007 0.0018
Entamoeba histolytica acetyltransferase, GNAT family 0.0022 0.0015 0.5
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0241 0.4144 0.414
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0151 0.245 1
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.0108 0.1629 0.618
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0108 0.1629 0.618
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0044 0.0422 0.0568
Echinococcus granulosus histone acetyltransferase KAT2B 0.0079 0.1094 0.1088
Trichomonas vaginalis aldehyde oxidase, putative 0.0228 0.3902 1
Loa Loa (eye worm) acetyltransferase 0.0082 0.1138 0.2745
Treponema pallidum hypothetical protein 0.0037 0.03 1
Plasmodium vivax hypothetical protein, conserved 0.0241 0.4144 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0082 0.1138 0.1131
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0022 0.0007 0.0018
Loa Loa (eye worm) hypothetical protein 0.0241 0.4144 1
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0077 0.1053 0.3502
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0077 0.1053 0.3502
Echinococcus granulosus histone acetyltransferase KAT2B 0.0024 0.0053 0.0045
Treponema pallidum quinoline 2-oxidoreductase 0.0036 0.0284 0.8682
Plasmodium falciparum conserved protein, unknown function 0.0241 0.4144 1
Brugia malayi acetyltransferase, GNAT family protein 0.0082 0.1138 0.2732
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0228 0.3902 1
Schistosoma mansoni hypothetical protein 0.0241 0.4144 0.414
Toxoplasma gondii hypothetical protein 0.0241 0.4144 1
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0241 0.4144 1
Loa Loa (eye worm) intermediate filament protein 0.0022 0.0007 0.0018
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0044 0.0422 0.0568
Echinococcus multilocularis microtubule associated protein 2 0.0552 1 1
Giardia lamblia Histone acetyltransferase GCN5 0.0022 0.0015 0.5
Onchocerca volvulus 0.0241 0.4144 1
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0228 0.3902 1
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0241 0.4144 0.414
Schistosoma mansoni microtubule-associated protein tau 0.0552 1 1
Loa Loa (eye worm) hypothetical protein 0.0241 0.4144 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0082 0.1138 0.1131

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = 0 % Phytotoxicity against directly seeded Oryza sativa (rice) seedlings assessed as phytotoxic activity ratings (0- no effect to 5-complete killing rating scale) at 100 g/a measured after 3 weeks post compound treatment under green house conditions ChEMBL. 27393589
Activity (functional) = 85 % Relieving activity against bensulfuron-methyl induced injury to Oryza sativa (rice) assessed as growth rate at 1 uM (Rbv = 46 to 53%) ChEMBL. 27393060

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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