Detailed information for compound 1791434

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 303.361 | Formula: C18H17N5
  • H donors: 1 H acceptors: 3 LogP: 3.05 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)C1C2=C(CCCC2)Nc2c1c1ncnn1cn2
  • InChi: 1S/C18H17N5/c1-2-6-12(7-3-1)15-13-8-4-5-9-14(13)22-17-16(15)18-19-10-21-23(18)11-20-17/h1-3,6-7,10-11,15,22H,4-5,8-9H2
  • InChiKey: KMQSLISPIDBKIO-UHFFFAOYSA-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 granulosus tyrosine protein kinase Src64B 0.0138 0.2232 0.1945
Loa Loa (eye worm) hypothetical protein 0.0269 0.9508 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0269 0.9508 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0138 0.2232 0.1945
Loa Loa (eye worm) TK protein kinase 0.0123 0.1365 0.1435
Loa Loa (eye worm) TK/ABL protein kinase 0.0258 0.8886 0.9346
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0138 0.2232 0.1945
Echinococcus granulosus tyrosine protein kinase ABL1 0.0258 0.8886 0.9312
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0138 0.2232 0.1945
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0138 0.2232 0.1945
Echinococcus granulosus tyrosine kinase 0.0123 0.1365 0.0985
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0138 0.2232 0.1945
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0138 0.2232 0.1945
Echinococcus granulosus tyrosine protein kinase Blk 0.0123 0.1365 0.0985
Loa Loa (eye worm) TK protein kinase 0.0107 0.0475 0.05
Brugia malayi Tyrosine-protein kinase abl-1 0.0144 0.2554 0.1461
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0138 0.2232 0.1945
Loa Loa (eye worm) hypothetical protein 0.0269 0.9508 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0138 0.2232 0.1945
Loa Loa (eye worm) SRC-1 0.0138 0.2232 0.2348
Echinococcus multilocularis tyrosine protein kinase Abl 0.013 0.1757 0.1419
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0138 0.2232 0.1945
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0138 0.2232 0.1945
Echinococcus granulosus tyrosine protein kinase Lyn 0.0138 0.2232 0.1945
Schistosoma mansoni tyrosine kinase 0.0242 0.7997 0.7421
Brugia malayi Tyrosine-protein kinase abl-1 0.013 0.1757 0.0482
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0138 0.2232 0.1945
Loa Loa (eye worm) TKL/MLK/LZK protein kinase 0.0269 0.9508 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0138 0.2232 0.1945
Echinococcus granulosus tyrosine protein kinase Fyn 0.0138 0.2232 0.1945
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0269 0.9508 1
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0123 0.1365 0.0985
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0123 0.1365 0.0985
Echinococcus multilocularis tyrosine protein kinase Srms 0.0123 0.1365 0.0985
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0138 0.2232 0.1945
Entamoeba histolytica protein kinase, putative 0.0107 0.0475 0.5
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0258 0.8886 0.9312
Echinococcus granulosus tyrosine protein kinase Src42A 0.0114 0.0873 0.044
Echinococcus multilocularis tyrosine protein kinase Blk 0.0123 0.1365 0.0985
Brugia malayi SRC-1 0.0138 0.2232 0.1065
Echinococcus granulosus tyrosine protein kinase Fyn 0.0138 0.2232 0.1945
Brugia malayi Protein kinase domain containing protein 0.0269 0.9508 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0114 0.0873 0.044

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 10 uM Cytotoxicity against Homo sapiens (human) MCF7 cells after 48 hr by SRB assay ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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