Detailed information for compound 285989

Basic information

Technical information
  • TDR Targets ID: 285989
  • Name: 11-azapentacyclo(6.2.1).0(2,7).0(4,10).0(5,9) decane
  • MW: 147.217 | Formula: C10H13N
  • H donors: 1 H acceptors: 0 LogP: 1.06 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1C2C3CC4C1C1C2NC3C41
  • InChi: 1S/C10H13N/c1-3-4-2-6-5(1)9-7(3)8(4)10(6)11-9/h3-11H,1-2H2
  • InChiKey: AWGULFDHHFSTLO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 95617-30-4
  • AIDS-211832
  • AIDS211832
  • 11-Apcd
  • 3,2,5-Ethanylylidene-1H-1-azacyclobuta[cd]pentalene, octahydro-

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 thymidylate synthase 0.0357 0.6444 1
Brugia malayi Furin-like cysteine rich region family protein 0.0306 0.5211 0.8086
Treponema pallidum sodium- and chloride- dependent transporter 0.0093 0 0.5
Onchocerca volvulus 0.0357 0.6444 1
Schistosoma mansoni tyrosine kinase 0.0165 0.1747 0.271
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0357 0.6444 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0502 1 0.5
Echinococcus granulosus geminin 0.0174 0.1977 0.3068
Echinococcus granulosus epidermal growth factor receptor 0.0165 0.1747 0.271
Loa Loa (eye worm) dihydrofolate reductase 0.0146 0.128 0.1986
Brugia malayi dihydrofolate reductase family protein 0.0146 0.128 0.1986
Schistosoma mansoni tyrosine kinase 0.0163 0.1704 0.2645
Brugia malayi Protein kinase domain containing protein 0.0098 0.0116 0.0181
Schistosoma mansoni tyrosine kinase 0.0165 0.1747 0.271
Brugia malayi thymidylate synthase 0.0357 0.6444 1
Echinococcus granulosus thymidylate synthase 0.0357 0.6444 1
Echinococcus multilocularis epidermal growth factor receptor 0.0165 0.1747 0.271
Loa Loa (eye worm) TK/INSR protein kinase 0.0098 0.0116 0.0181
Echinococcus multilocularis 0.0095 0.0041 0.0064
Chlamydia trachomatis dihydrofolate reductase 0.0146 0.128 0.5
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0357 0.6444 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0098 0.0116 0.0181
Echinococcus multilocularis epidermal growth factor receptor 0.0306 0.5211 0.8086
Echinococcus granulosus insulin receptor 0.0098 0.0116 0.0181
Echinococcus multilocularis dihydrofolate reductase 0.0146 0.128 0.1986
Echinococcus multilocularis insulin receptor 0.0098 0.0116 0.0181
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0357 0.6444 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0306 0.5211 0.8086
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0502 1 0.5
Mycobacterium ulcerans thymidylate synthase 0.0357 0.6444 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0502 1 0.5
Schistosoma mansoni hypothetical protein 0.0174 0.1977 0.3068
Brugia malayi hypothetical protein 0.017 0.1872 0.2906
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0165 0.1747 0.271
Schistosoma mansoni tyrosine kinase 0.0163 0.1704 0.2645
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0502 1 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0098 0.0116 0.0181
Schistosoma mansoni dihydrofolate reductase 0.0146 0.128 0.1986
Loa Loa (eye worm) thymidylate synthase 0.0357 0.6444 1
Echinococcus granulosus dihydrofolate reductase 0.0146 0.128 0.1986
Trichomonas vaginalis conserved hypothetical protein 0.017 0.1872 0.5
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0502 1 0.5
Brugia malayi Dihydrofolate reductase 0.0146 0.128 0.1986
Echinococcus granulosus epidermal growth factor receptor 0.0306 0.5211 0.8086
Echinococcus multilocularis geminin 0.0174 0.1977 0.3068
Schistosoma mansoni tyrosine kinase 0.0306 0.5211 0.8086
Schistosoma mansoni tyrosine kinase 0.0098 0.0116 0.0181
Mycobacterium tuberculosis Hypothetical protein 0.017 0.1872 0.1148
Schistosoma mansoni tyrosine kinase 0.0163 0.1704 0.2645
Schistosoma mansoni tyrosine kinase 0.0098 0.0116 0.0181
Schistosoma mansoni hypothetical protein 0.0174 0.1977 0.3068

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Effect of the compound on herpes simplex virus HSV-1; Ineffective ChEMBL. 2989519
Activity (functional) 0 Effect of the compound on herpes simplex virus HSV-2; Ineffective ChEMBL. 2989519

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

1 literature reference was collected for this gene.

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