Detailed information for compound 1602384

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 257.334 | Formula: C14H19N5
  • H donors: 1 H acceptors: 4 LogP: 4.17 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCNc1nc(C#N)cnc1C#N
  • InChi: 1S/C14H19N5/c1-2-3-4-5-6-7-8-17-14-13(10-16)18-11-12(9-15)19-14/h11H,2-8H2,1H3,(H,17,19)
  • InChiKey: BRSVMMUKGMVYNR-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
Schistosoma mansoni hypothetical protein 0.2072 0.3099 0.3099
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0247 0.0094 0.0094
Schistosoma mansoni thyroid hormone receptor 0.0247 0.0094 0.0094
Loa Loa (eye worm) hypothetical protein 0.2072 0.3099 0.3033
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0247 0.0094 0.0094
Schistosoma mansoni serine/threonine protein kinase 0.2088 0.3125 0.3125
Schistosoma mansoni thyroid hormone receptor 0.0247 0.0094 0.0094
Echinococcus granulosus lysosomal protective protein 0.1922 0.2852 0.4246
Brugia malayi Kinase associated domain 1 family protein 0.2072 0.3099 0.3033
Schistosoma mansoni steroid hormone receptor ad4bp 0.0247 0.0094 0.0094
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.1922 0.2852 1
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.2088 0.3125 0.4667
Schistosoma mansoni RAR-like nuclear receptor 0.0247 0.0094 0.0094
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.1922 0.2852 0.5
Schistosoma mansoni serine/threonine protein kinase 0.2088 0.3125 0.3125
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.1922 0.2852 0.5
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.1922 0.2852 0.2852
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.1922 0.2852 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.1922 0.2852 0.5
Schistosoma mansoni serine/threonine protein kinase 0.2088 0.3125 0.3125
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.1732 0.2539 0.3765
Echinococcus granulosus calcium activated potassium channel 0.2088 0.3125 0.4667
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.1922 0.2852 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0247 0.0094 0.0094
Schistosoma mansoni retinoic acid receptor RXR 0.0247 0.0094 0.0094
Loa Loa (eye worm) hypothetical protein 0.1922 0.2852 0.2784
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.1922 0.2852 0.5
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.1922 0.2852 0.2784
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.1922 0.2852 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0247 0.0094 0.0094
Echinococcus multilocularis calcium activated potassium channel 0.2088 0.3125 0.4667
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.1922 0.2852 0.2852
Schistosoma mansoni serine/threonine protein kinase 0.2088 0.3125 0.3125
Schistosoma mansoni hypothetical protein 0.2072 0.3099 0.3099
Trichomonas vaginalis CAMK family protein kinase 0.6263 1 1
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.1922 0.2852 0.5
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.2088 0.3125 0.4667
Schistosoma mansoni serine/threonine kinase 0.6263 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0247 0.0094 0.0094
Echinococcus granulosus maternal embryonic leucine zipper kinase 0.4191 0.6588 1
Echinococcus multilocularis maternal embryonic leucine zipper kinase 0.4191 0.6588 1
Loa Loa (eye worm) CAMK/CAMKL/MELK protein kinase 0.6263 1 1
Echinococcus granulosus serine:threonine protein kinase MARK2 0.2088 0.3125 0.4667
Echinococcus multilocularis hypothetical protein 0.2072 0.3099 0.4627
Echinococcus granulosus serine:threonine protein kinase MARK2 0.2088 0.3125 0.4667
Schistosoma mansoni coup transcription factor 0.0247 0.0094 0.0094
Schistosoma mansoni nuclear hormone receptor 0.0247 0.0094 0.0094
Echinococcus multilocularis lysosomal protective protein 0.1922 0.2852 0.4246
Echinococcus granulosus family S10 non peptidase ue S10 family 0.1732 0.2539 0.3765
Schistosoma mansoni serine/threonine protein kinase 0.2088 0.3125 0.3125
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0247 0.0094 0.0094

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 25 ug ml-1 Antimycobacterial activity against Mycobacterium tuberculosis H37Rv CNCTC My 331/88 after 14 days by microdilution panel method ChEMBL. 22281187

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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