Detailed information for compound 813923

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 401.503 | Formula: C21H31N5O3
  • H donors: 1 H acceptors: 3 LogP: 1.46 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCC(=O)NC(c1nnc2n1CCN(CC2)C/C=C/c1ccco1)CC(C)C
  • InChi: 1S/C21H31N5O3/c1-16(2)14-18(22-20(27)15-28-3)21-24-23-19-8-10-25(11-12-26(19)21)9-4-6-17-7-5-13-29-17/h4-7,13,16,18H,8-12,14-15H2,1-3H3,(H,22,27)/b6-4+
  • InChiKey: CQSQTNDCTBYCLW-GQCTYLIASA-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
Brugia malayi probable protein kinase 0.0088 0.5535 0.5535
Loa Loa (eye worm) hypothetical protein 0.0026 0.1171 0.1171
Schistosoma mansoni vam6/vps39 related 0.0026 0.1171 0.1188
Brugia malayi Protein kinase domain containing protein 0.0048 0.2746 0.2746
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0012 0.0213 0.0216
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0048 0.2746 0.2786
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0081 0.5021 0.5095
Brugia malayi hypothetical protein 0.0026 0.1171 0.1171
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0026 0.1194 0.1211
Echinococcus granulosus insulin receptor 0.0048 0.2746 0.2786
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0026 0.1194 0.1211
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0151 1 1
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0026 0.1194 0.1211
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0026 0.1171 0.5
Echinococcus multilocularis neuroglian 0.0012 0.0166 0.0169
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0026 0.1194 0.1211
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0026 0.1171 0.1188
Schistosoma mansoni protein kinase 0.0062 0.3712 0.3767
Schistosoma mansoni tyrosine kinase 0.0048 0.2746 0.2786
Echinococcus multilocularis 0.0062 0.3712 0.3767
Schistosoma mansoni cell adhesion molecule 0.0012 0.0213 0.0216
Echinococcus granulosus protein kinase 0.0062 0.3712 0.3767
Echinococcus granulosus twitchin 0.0012 0.0189 0.0192
Schistosoma mansoni rap gtpase-activating protein 0.0026 0.1171 0.1188
Loa Loa (eye worm) hypothetical protein 0.0088 0.5513 0.5513
Schistosoma mansoni tyrosine kinase 0.0079 0.4903 0.4974
Schistosoma mansoni hypothetical protein 0.0026 0.1171 0.1188
Echinococcus granulosus epidermal growth factor receptor 0.0081 0.5021 0.5095
Loa Loa (eye worm) hypothetical protein 0.0012 0.0213 0.0213
Echinococcus multilocularis roundabout 2 0.0015 0.0379 0.0385
Echinococcus granulosus roundabout 2 0.0015 0.0379 0.0385
Loa Loa (eye worm) hypothetical protein 0.0026 0.1171 0.1171
Schistosoma mansoni protein kinase 0.0026 0.1194 0.1211
Echinococcus granulosus epidermal growth factor receptor 0.0149 0.9856 1
Echinococcus multilocularis 0.0046 0.2582 0.262
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0026 0.1171 0.5
Schistosoma mansoni nephrin 0.0012 0.0166 0.0169
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0026 0.1171 0.5
Echinococcus multilocularis epidermal growth factor receptor 0.0081 0.5021 0.5095
Brugia malayi Temporarily assigned gene name protein 59 0.0026 0.1171 0.1171
Onchocerca volvulus Tyrosine kinase homolog 0.0141 0.9302 1
Schistosoma mansoni tyrosine kinase 0.0048 0.2746 0.2786
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.0026 0.1171 0.1188
Echinococcus granulosus serine:threonine protein kinase mig 15 0.0088 0.5513 0.5594
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0048 0.2746 0.2786
Schistosoma mansoni tyrosine kinase 0.0079 0.4903 0.4974
Schistosoma mansoni tyrosine kinase 0.0079 0.4903 0.4974
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0026 0.1194 0.1211
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0026 0.1171 0.1188
Echinococcus granulosus Vam6:Vps39 protein 0.0026 0.1171 0.1188
Echinococcus granulosus neuroglian 0.0012 0.0166 0.0169
Echinococcus multilocularis insulin receptor 0.0048 0.2746 0.2786
Loa Loa (eye worm) hypothetical protein 0.0026 0.1171 0.1171
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.0062 0.3712 0.3712
Schistosoma mansoni tyrosine kinase 0.0149 0.9856 1
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.1194 0.1211
Brugia malayi Furin-like cysteine rich region family protein 0.0149 0.9856 0.9856
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.0026 0.1171 0.1188
Brugia malayi Protein kinase domain containing protein 0.0026 0.1194 0.1194
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.0026 0.1194 0.1194
Loa Loa (eye worm) hypothetical protein 0.0015 0.0379 0.0379
Schistosoma mansoni protein kinase 0.0088 0.5535 0.5616
Schistosoma mansoni tyrosine kinase 0.0081 0.5021 0.5095
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.1194 0.1211
Schistosoma mansoni tyrosine kinase 0.0081 0.5021 0.5095
Loa Loa (eye worm) TK/INSR protein kinase 0.0048 0.2746 0.2746
Echinococcus multilocularis epidermal growth factor receptor 0.0149 0.9856 1
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0026 0.1194 0.1211
Onchocerca volvulus 0.0137 0.9017 0.965
Loa Loa (eye worm) hypothetical protein 0.0015 0.0379 0.0379
Loa Loa (eye worm) TK/EGFR protein kinase 0.0149 0.9856 0.9856

Activities

No activities found for this compound.

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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