Detailed information for compound 417672

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 291.349 | Formula: C14H21N5O2
  • H donors: 2 H acceptors: 4 LogP: 0.98 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1CC[C@@](C1(C)C)(C)Cn1nnc2c1nc[nH]c2=O
  • InChi: 1S/C14H21N5O2/c1-13(2)9(6-20)4-5-14(13,3)7-19-11-10(17-18-19)12(21)16-8-15-11/h8-9,20H,4-7H2,1-3H3,(H,15,16,21)/t9-,14+/m1/s1
  • InChiKey: QDXMHPXTSQIVKG-OTYXRUKQSA-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 multilocularis tyrosine protein kinase Abl 0.0222 0.4297 0.4297
Onchocerca volvulus 0.0126 0 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0194 0.306 0.306
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0253 0.5703 0.5703
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0222 0.4297 0.4297
Echinococcus granulosus tyrosine protein kinase Src42A 0.0349 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0349 1 1
Echinococcus multilocularis c src tyrosine kinase 0.0222 0.4297 0.4297
Brugia malayi Variant SH3 domain containing protein 0.0194 0.306 0.306
Schistosoma mansoni tyrosine kinase 0.0222 0.4297 0.4297
Onchocerca volvulus 0.0126 0 0.5
Echinococcus granulosus tyrosine protein kinase Src64B 0.0349 1 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0349 1 1
Brugia malayi Variant SH3 domain containing protein 0.0194 0.306 0.306
Echinococcus granulosus tyrosine protein kinase Src42A 0.0226 0.4466 0.4466
Schistosoma mansoni tyrosine kinase 0.0349 1 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0349 1 1
Onchocerca volvulus 0.0126 0 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0349 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0349 1 1
Echinococcus multilocularis tyrosine protein kinase HCK 0.0155 0.1296 0.1296
Echinococcus granulosus c src tyrosine kinase 0.0222 0.4297 0.4297
Echinococcus granulosus NCK adaptor protein 0.0194 0.306 0.306
Schistosoma mansoni growth factor receptor-bound protein 0.0194 0.306 0.306
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0349 1 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0253 0.5703 0.5703
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0349 1 1
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0194 0.306 0.306
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0194 0.306 0.306
Echinococcus multilocularis tyrosine protein kinase Blk 0.0253 0.5703 0.5703
Echinococcus granulosus tyrosine protein kinase Fyn 0.0349 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0349 1 1
Echinococcus multilocularis NCK adaptor protein 0.0194 0.306 0.306
Schistosoma mansoni tyrosine kinase 0.0349 1 1
Schistosoma mansoni nck2/grb4 0.0194 0.306 0.306
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0349 1 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0222 0.4297 0.4297
Loa Loa (eye worm) TK protein kinase 0.0155 0.1296 0.1296
Brugia malayi protein-tyrosine kinase 0.0253 0.5703 0.5703
Schistosoma mansoni adapter molecule crk 0.0194 0.306 0.306
Loa Loa (eye worm) TK protein kinase 0.0253 0.5703 0.5703
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0253 0.5703 0.5703
Loa Loa (eye worm) hypothetical protein 0.0194 0.306 0.306
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0222 0.4297 0.4297
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0349 1 1
Brugia malayi Sex muscle abnormal protein 5 0.0194 0.306 0.306
Echinococcus granulosus tyrosine protein kinase Blk 0.0253 0.5703 0.5703
Echinococcus granulosus growth factor receptor bound protein 2 0.0194 0.306 0.306
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0349 1 1
Loa Loa (eye worm) SRC-1 0.0349 1 1
Echinococcus multilocularis growth factor receptor bound protein 2 0.0194 0.306 0.306
Echinococcus granulosus tyrosine protein kinase HCK 0.0155 0.1296 0.1296
Onchocerca volvulus 0.0126 0 0.5
Onchocerca volvulus 0.0126 0 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0349 1 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0349 1 1
Schistosoma mansoni tyrosine kinase 0.0222 0.4297 0.4297
Onchocerca volvulus 0.0126 0 0.5
Brugia malayi Tyrosine-protein kinase abl-1 0.0222 0.4297 0.4297
Echinococcus granulosus tyrosine kinase 0.0253 0.5703 0.5703
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0349 1 1
Schistosoma mansoni growth factor receptor-bound protein 0.0194 0.306 0.306
Entamoeba histolytica protein kinase, putative 0.0155 0.1296 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0226 0.4466 0.4466

Activities

Activity type Activity value Assay description Source Reference
IC50 (ADMET) > 200 uM Cytotoxicity against mouse L1210/0 cells after 48 hrs ChEMBL. 17341060

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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