Detailed information for compound 232315

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 361.392 | Formula: C18H23N3O5
  • H donors: 1 H acceptors: 3 LogP: 1.04 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)N1CCc2c(CC1)ccc(c2)N1C[C@@H](OC1=O)CNC(=O)C
  • InChi: 1S/C18H23N3O5/c1-12(22)19-10-16-11-21(18(24)26-16)15-4-3-13-5-7-20(17(23)25-2)8-6-14(13)9-15/h3-4,9,16H,5-8,10-11H2,1-2H3,(H,19,22)/t16-/m0/s1
  • InChiKey: SGLMPTKQSDVMTO-INIZCTEOSA-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
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.2397 0.2105
Trypanosoma brucei polo-like protein kinase 0.0086 0.2397 1
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.2397 0.2105
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0049 0.0651 0.2717
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0058 0.1075 0.4483
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.2397 0.2105
Echinococcus granulosus CREB binding protein 0.0046 0.0509 0.2123
Echinococcus multilocularis ectonucleotide 0.0049 0.0651 0.2717
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0058 0.1075 0.4483
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0049 0.0651 0.2717
Brugia malayi serine/threonine-protein kinase plk-2 0.0086 0.2397 0.2397
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0125 0.4193 0.3997
Echinococcus granulosus ectonucleotide 0.0049 0.0651 0.2717
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.2397 0.2105
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0058 0.1075 0.1075
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.2397 0.2105
Loa Loa (eye worm) hypothetical protein 0.0049 0.0651 0.0335
Brugia malayi Thrombospondin type 1 domain containing protein 0.0125 0.4193 0.4193
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.2397 0.2105
Mycobacterium ulcerans glutaminase 0.025 1 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0042 0.0327 0.1364
Onchocerca volvulus 0.0125 0.4193 1
Echinococcus multilocularis CREB binding protein 0.0046 0.0509 0.2123
Trichomonas vaginalis glutaminase, putative 0.025 1 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0058 0.1075 0.4483
Loa Loa (eye worm) glutaminase 2 0.025 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0086 0.2397 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0058 0.1075 0.4483
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0058 0.1075 0.1075
Schistosoma mansoni CREB-binding protein 2 0.0046 0.0509 0.0509
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0042 0.0327 0.1364
Loa Loa (eye worm) hypothetical protein 0.0058 0.1075 0.0773
Loa Loa (eye worm) glutaminase 0.025 1 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0058 0.1075 0.1075
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0058 0.1075 0.4483
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0046 0.0509 0.0509
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0058 0.1075 0.4483
Loa Loa (eye worm) hypothetical protein 0.0058 0.1075 0.0773
Loa Loa (eye worm) hypothetical protein 0.0058 0.1075 0.0773
Schistosoma mansoni kinase 0.0044 0.0423 0.0423
Giardia lamblia Kinase, PLK 0.0086 0.2397 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.2397 0.2105
Trypanosoma cruzi polo-like protein kinase, putative 0.0086 0.2397 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0058 0.1075 0.4483
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0035 0 0.5
Loa Loa (eye worm) CBP-B 0.0046 0.0509 0.0188
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0058 0.1075 0.1075
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0042 0.0327 0.1364
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.0327 0.0327
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.0327 0.0327
Onchocerca volvulus Serine\/threonine kinase homolog 0.0086 0.2397 0.4241
Schistosoma mansoni hypothetical protein 0.0125 0.4193 0.4193
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0086 0.2397 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0058 0.1075 0.4483
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0086 0.2397 1
Schistosoma mansoni serine/threonine protein kinase 0.0086 0.2397 0.2397
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0058 0.1075 0.4483
Echinococcus granulosus CREB binding protein 0.0046 0.0509 0.2123
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0042 0.0327 0.0327
Schistosoma mansoni glutaminase 0.025 1 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0058 0.1075 0.4483
Brugia malayi TAZ zinc finger family protein 0.0046 0.0509 0.0509
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0058 0.1075 0.4483
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0086 0.2397 0.214
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0042 0.0327 0.1364
Entamoeba histolytica serine/threonine protein kinase, putative 0.0086 0.2397 0.5
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0086 0.2397 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0058 0.1075 0.1075
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.0327 0.0327

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 1 ug ml-1 Antibacterial activity against Methicillin-resistant Staphylococcus epidermidis UC12084 (S. e) ChEMBL. 14623000
MIC (functional) = 1 ug ml-1 Antibacterial activity against Streptococcus pneumoniae UC9912 (S.p) ChEMBL. 14623000
MIC (functional) = 2 ug ml-1 Antibacterial activity against Enterococcus faecalis UC9217 (E. f) ChEMBL. 14623000
MIC (functional) = 4 ug ml-1 Antibacterial activity against Methicillin-suceptible Staphylococcus aureus UC9218 ChEMBL. 14623000
MIC (functional) > 64 ug ml-1 Antibacterial activity against Haemophilus influenzae UC30063 (H. influenzae) ChEMBL. 14623000

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

1 literature reference was collected for this gene.

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