Detailed information for compound 1752777

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 315.41 | Formula: C18H25N3O2
  • H donors: 1 H acceptors: 2 LogP: 2.99 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(N1CCCC(C1)(C)C(=O)Nc1ccc2c(c1)nc(o2)C)C
  • InChi: 1S/C18H25N3O2/c1-12(2)21-9-5-8-18(4,11-21)17(22)20-14-6-7-16-15(10-14)19-13(3)23-16/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,20,22)
  • InChiKey: SGWBJSYGLRWJNH-UHFFFAOYSA-N  


Substructure search Similarity search

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
Schistosoma mansoni regulator of G protein signaling 0.0183 0.096 0.0535
Echinococcus multilocularis beta adrenergic receptor kinase 0.0189 0.1002 0.0682
Brugia malayi PXA domain containing protein 0.0183 0.096 0.096
Echinococcus multilocularis expressed protein 0.0183 0.096 0.0631
Entamoeba histolytica hypothetical protein 0.0183 0.096 1
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.1149 0.8559 0.8559
Trichomonas vaginalis conserved hypothetical protein 0.0183 0.096 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.0183 0.096 0.096
Schistosoma mansoni regulator of G protein signaling 0.0183 0.096 0.0535
Trichomonas vaginalis conserved hypothetical protein 0.0183 0.096 1
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1149 0.8559 0.8559
Toxoplasma gondii AGC kinase 0.0061 0 0.5
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1333 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0152 0.0717 0.0281
Loa Loa (eye worm) PXA domain-containing protein 0.0183 0.096 0.096
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.1149 0.8559 1
Onchocerca volvulus 0.0152 0.0717 1
Schistosoma mansoni axis inhibition protein axin 0.0183 0.096 0.0535
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0118 0.0448 0.0448
Schistosoma mansoni regulator of G protein signaling 0.0183 0.096 0.0535
Schistosoma mansoni serine/threonine protein kinase 0.1333 1 1
Echinococcus granulosus rho-associated protein kinase 1 0.0152 0.0717 0.0331
Echinococcus multilocularis rho associated protein kinase 0.0152 0.0717 0.0331
Schistosoma mansoni serine/threonine protein kinase 0.0189 0.1002 0.0579
Brugia malayi Regulator of G protein signaling domain containing protein 0.0183 0.096 0.096
Echinococcus granulosus beta-adrenergic receptor kinase 0.0189 0.1002 0.0682
Loa Loa (eye worm) RGS-3 protein 0.0183 0.096 0.096
Loa Loa (eye worm) hypothetical protein 0.0183 0.096 0.096
Loa Loa (eye worm) hypothetical protein 0.0183 0.096 0.096
Trypanosoma brucei rac serine-threonine kinase, putative 0.0061 0 0.5
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0183 0.096 0.0535
Entamoeba histolytica hypothetical protein 0.0183 0.096 1
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0463 0.3159 0.3159
Echinococcus granulosus regulator of G protein signaling 7 0.0183 0.096 0.0631
Schistosoma mansoni regulator of G protein signaling 0.0183 0.096 0.0535
Trichomonas vaginalis conserved hypothetical protein 0.0183 0.096 1
Echinococcus multilocularis regulator of G protein signaling 3 0.0183 0.096 0.0631
Trichomonas vaginalis conserved hypothetical protein 0.0183 0.096 1
Brugia malayi A-kinase anchor protein 10, precursor 0.0183 0.096 0.096
Brugia malayi hypothetical protein 0.0183 0.096 0.096
Schistosoma mansoni axis inhibition protein axin 0.0183 0.096 0.0535
Trichomonas vaginalis conserved hypothetical protein 0.0183 0.096 1
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0183 0.096 1
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0183 0.096 0.0535
Echinococcus granulosus regulator of G protein signaling 3 0.0183 0.096 0.0631
Schistosoma mansoni serine/threonine protein kinase 0.0189 0.1002 0.0579
Echinococcus granulosus regulator of G protein signaling 7 0.0183 0.096 0.0631
Echinococcus multilocularis Regulator of G protein signaling 20 0.0183 0.096 0.0631
Echinococcus multilocularis G protein coupled receptor kinase 6 0.1149 0.8559 1
Echinococcus multilocularis regulator of G protein signaling 3 0.0183 0.096 0.0631
Schistosoma mansoni regulator of G protein signaling 0.0183 0.096 0.0535
Loa Loa (eye worm) hypothetical protein 0.0183 0.096 0.096
Entamoeba histolytica hypothetical protein 0.0183 0.096 1
Echinococcus granulosus axis inhibition protein axin 0.0183 0.096 0.0631
Echinococcus multilocularis axis inhibition protein axin 0.0183 0.096 0.0631
Echinococcus multilocularis regulator of G protein signaling 0.0183 0.096 0.0631
Schistosoma mansoni z-protein (S1r protein) 0.0183 0.096 0.0535
Brugia malayi regulator of G-protein signaling rgs-7 0.0183 0.096 0.096
Loa Loa (eye worm) hypothetical protein 0.0183 0.096 0.096
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.1149 0.8559 0.8559
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.009 0.0226 0.5
Echinococcus multilocularis regulator of G protein signaling 7 0.0183 0.096 0.0631
Brugia malayi ribosomal protein S6 kinase alpha 3 0.009 0.0226 0.0226
Echinococcus multilocularis regulator of G protein signaling 7 0.0183 0.096 0.0631
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0183 0.096 0.0631
Trichomonas vaginalis conserved hypothetical protein 0.0183 0.096 1
Loa Loa (eye worm) hypothetical protein 0.0183 0.096 0.096
Echinococcus granulosus Regulator of G protein signaling 20 0.0183 0.096 0.0631
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0183 0.096 0.096
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0189 0.1002 0.1002
Giardia lamblia Kinase, AGC AKT 0.009 0.0226 0.5
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0183 0.096 0.0631
Echinococcus granulosus axis inhibition protein axin 0.0183 0.096 0.0631
Brugia malayi PXA domain containing protein 0.0183 0.096 0.096
Echinococcus granulosus expressed protein 0.0183 0.096 0.0631
Echinococcus granulosus regulator of G protein signaling 3 0.0183 0.096 0.0631
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0183 0.096 0.0535
Echinococcus multilocularis axis inhibition protein axin 0.0183 0.096 0.0631
Brugia malayi regulator of G-protein signaling egl-10 0.0183 0.096 0.096
Brugia malayi hypothetical protein 0.0183 0.096 0.096
Loa Loa (eye worm) hypothetical protein 0.0183 0.096 0.096
Brugia malayi Protein kinase domain containing protein 0.0463 0.3159 0.3159

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 23.1093 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (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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