Detailed information for compound 2151641

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 331.143 | Formula: C19H17N5O
  • H donors: 1 H acceptors: 3 LogP: 2.54 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 0
  • SMILES: N#Cc1cccc(c1)c1c[nH]c2c1c(ncn2)N1C[C@@H]2[C@H](C1)CCO2
  • InChi: InChI=1S/C19H17N5O/c20-7-12-2-1-3-13(6-12)15-8-21-18-17(15)19(23-11-22-18)24-9-14-4-5-25-16(14)10-24/h1-3,6,8,11,14,16H,4-5,9-10H2,(H,21,22,23)/t14-,16+/m0/s1
  • InChiKey: GQERVRMWWVZZDB-GOEBONIOSA-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
Entamoeba histolytica serine/threonine-protein kinase 3, putative 0.0063 0.2255 0.4991
Giardia lamblia Kinase, STE STE20 0.0063 0.2255 0.5
Loa Loa (eye worm) STE/STE20/YSK protein kinase 0.0124 0.4517 0.4517
Onchocerca volvulus Mitochondrial Rho GTPase homolog 0.0003 0 0.5
Entamoeba histolytica protein kinase, putative 0.0124 0.4517 1
Echinococcus granulosus serine:threonine protein kinase 3 0.027 1 1
Leishmania major protein kinase, putative 0.0063 0.2255 1
Trichomonas vaginalis STE family protein kinase 0.0124 0.4517 1
Echinococcus granulosus leucine rich repeat serine:threonine protein 0.0072 0.2573 0.2573
Trypanosoma brucei STE20-like serine/threonine-protein kinase 1, putative 0.0063 0.2255 1
Onchocerca volvulus 0.0003 0 0.5
Echinococcus multilocularis myosin iiia 0.0063 0.2255 0.2255
Echinococcus multilocularis leucine rich repeat serine:threonine protein 0.0071 0.2555 0.2555
Echinococcus multilocularis serine threonine protein kinase 0.0124 0.4517 0.4517
Echinococcus granulosus serine threonine protein kinase 0.0124 0.4517 0.4517
Schistosoma mansoni serine/threonine protein kinase 0.0124 0.4517 0.5886
Trichomonas vaginalis STE family protein kinase 0.0063 0.2255 0.4991
Loa Loa (eye worm) STE/STE20/MST protein kinase 0.027 1 1
Entamoeba histolytica serine/threonine protein kinase STE20, putative 0.0063 0.2255 0.4991
Plasmodium falciparum protein kinase, putative 0.0124 0.4517 1
Brugia malayi Protein kinase domain containing protein 0.0071 0.2555 0.2555
Loa Loa (eye worm) TKL/LRRK protein kinase 0.0071 0.2555 0.2555
Schistosoma mansoni ste20-related kinase 0.0208 0.7674 1
Trypanosoma cruzi STE/STE20 serine/threonine-protein kinase, putative 0.0063 0.2255 1
Trypanosoma cruzi STE/STE20 serine/threonine-protein kinase, putative 0.0063 0.2255 1
Trichomonas vaginalis STE family protein kinase 0.0124 0.4517 1
Echinococcus multilocularis serine:threonine protein kinase 3 0.027 1 1
Plasmodium vivax serine/threonine-specific protein kinase, putative 0.0124 0.4517 1

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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