Detailed information for compound 1644668

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 341.533 | Formula: C22H35N3
  • H donors: 0 H acceptors: 2 LogP: 7.64 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCCc1nnn(c1)CCc1ccccc1
  • InChi: 1S/C22H35N3/c1-2-3-4-5-6-7-8-9-10-14-17-22-20-25(24-23-22)19-18-21-15-12-11-13-16-21/h11-13,15-16,20H,2-10,14,17-19H2,1H3
  • InChiKey: AUBSYTJDLGVLTP-UHFFFAOYSA-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
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0479 0.0759 0.0759
Echinococcus multilocularis ring and YY1 binding protein 0.0479 0.0759 0.0759
Echinococcus granulosus zinc finger protein Ran binding 0.0479 0.0759 0.0759
Trypanosoma brucei hypothetical protein, conserved 0.0479 0.0759 0.5
Echinococcus multilocularis zinc finger protein Ran binding 0.0479 0.0759 0.0759
Schistosoma mansoni hypothetical protein 0.1347 0.5157 1
Brugia malayi brahma associated protein 60 kDa 0.1347 0.5157 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0479 0.0759 0.5
Chlamydia trachomatis SWIB complex protein 0.1347 0.5157 0.5
Loa Loa (eye worm) brahma associated protein 0.1347 0.5157 1
Plasmodium vivax hypothetical protein, conserved 0.1347 0.5157 0.5
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0479 0.0759 0.5
Echinococcus granulosus ring and YY1 binding protein 0.0479 0.0759 0.0759
Echinococcus granulosus Upstream activation factor subunit UAF30 0.1347 0.5157 0.5157
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.1347 0.5157 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0479 0.0759 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0479 0.0759 0.5
Schistosoma mansoni brg-1 associated factor 0.1347 0.5157 1
Echinococcus granulosus SWI:SNF matrix associated 0.1347 0.5157 0.5157
Brugia malayi SWIB/MDM2 domain containing protein 0.1347 0.5157 1
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0479 0.0759 0.0759
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0479 0.0759 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0479 0.0759 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.1347 0.5157 0.5157
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.1347 0.5157 1
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.2303 1 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.1347 0.5157 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0479 0.0759 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.1347 0.5157 0.5157
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.1347 0.5157 1
Leishmania major calcium channel protein, putative,ion transporter, putative 0.2303 1 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.1347 0.5157 1
Schistosoma mansoni hypothetical protein 0.1347 0.5157 1
Trypanosoma cruzi hypothetical protein, conserved 0.0479 0.0759 0.5
Schistosoma mansoni hypothetical protein 0.1347 0.5157 1
Echinococcus multilocularis sodium channel protein 0.2303 1 1
Chlamydia trachomatis DNA topoisomerase I 0.1347 0.5157 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0479 0.0759 0.5
Echinococcus granulosus Zinc finger RanBP2 type 0.0479 0.0759 0.0759
Trypanosoma cruzi hypothetical protein, conserved 0.0479 0.0759 0.5
Onchocerca volvulus 0.1347 0.5157 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.1347 0.5157 0.5157
Trichomonas vaginalis conserved hypothetical protein 0.1347 0.5157 0.5
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0479 0.0759 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0479 0.0759 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0479 0.0759 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.1347 0.5157 0.5157
Brugia malayi brahma associated protein 60 kDa 0.1347 0.5157 1
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0479 0.0759 0.0759
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.1347 0.5157 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 67 % Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli using trans-2-dodecenoyl-coenzyme-A as substrate at 50 uM ChEMBL. 22483635
MIC (functional) = 4 ug ml-1 Antimycobacterial activity against Mycobacterium tuberculosis H37Rv by two-fold serial dilution method ChEMBL. 22483635

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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