Detailed information for compound 233052

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 329.437 | Formula: C19H27N3O2
  • H donors: 1 H acceptors: 3 LogP: 4.19 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOc1ccc(cc1)/C=C(\C(C(C)(C)C)O)/n1ncnc1
  • InChi: 1S/C19H27N3O2/c1-5-6-11-24-16-9-7-15(8-10-16)12-17(18(23)19(2,3)4)22-14-20-13-21-22/h7-10,12-14,18,23H,5-6,11H2,1-4H3/b17-12+
  • InChiKey: KFNRMSKQSRWLEC-SFQUDFHCSA-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
Loa Loa (eye worm) hypothetical protein 0.0108 0.0445 0.5371
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0167 0.0902 0.5
Brugia malayi hypothetical protein 0.0156 0.0817 0.9858
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0167 0.0902 0.5
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0874 0.6328 1
Brugia malayi hypothetical protein 0.0156 0.0817 0.9857
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0111 0.0468 0.042
Echinococcus granulosus lipoxygenase domain containing protein 0.0156 0.0817 0.1291
Schistosoma mansoni loxhd1 0.0156 0.0817 0.1291
Brugia malayi latrophilin 2 splice variant baaae 0.0108 0.0445 0.5371
Echinococcus multilocularis Polycystic kidney disease protein 0.0156 0.0817 0.1291
Schistosoma mansoni hypothetical protein 0.0156 0.0817 0.1291
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.0079 0.0223 0.0173
Loa Loa (eye worm) hypothetical protein 0.0156 0.0817 0.9858
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0158 0.0829 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0156 0.0817 0.1291
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.0079 0.0223 0.0179
Onchocerca volvulus 0.0156 0.0817 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.0817 0.9858
Echinococcus multilocularis RUN 0.0156 0.0817 0.1291
Loa Loa (eye worm) doublecortin family protein 0.0156 0.0817 0.9858
Brugia malayi Calcitonin receptor-like protein seb-1 0.0158 0.0829 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0874 0.6328 1
Echinococcus granulosus RUN 0.0156 0.0817 0.1291
Loa Loa (eye worm) hypothetical protein 0.0158 0.0829 1
Echinococcus granulosus microtubule associated protein 2 0.0671 0.4768 0.7535
Echinococcus multilocularis lipoxygenase domain containing protein 0.0156 0.0817 0.1291
Brugia malayi hypothetical protein 0.0156 0.0817 0.9858
Onchocerca volvulus 0.0156 0.0817 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0158 0.0829 1
Schistosoma mansoni rab6-interacting 0.0156 0.0817 0.1291
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0079 0.0223 0.0173
Echinococcus granulosus lipoxygenase domain containing protein 0.0156 0.0817 0.1291
Echinococcus granulosus Polycystic kidney disease protein 0.0156 0.0817 0.1291
Schistosoma mansoni hypothetical protein 0.0108 0.0445 0.0703
Plasmodium vivax multidomain scavenger receptor, putative 0.0156 0.0817 0.5
Schistosoma mansoni polycystin 1-related 0.0156 0.0817 0.1291
Schistosoma mansoni lipoxygenase 0.0874 0.6328 1
Schistosoma mansoni microtubule-associated protein tau 0.0671 0.4768 0.7535
Schistosoma mansoni rab6-interacting 0.0156 0.0817 0.1291
Trichomonas vaginalis aldehyde oxidase, putative 0.0167 0.0902 0.5
Schistosoma mansoni lipoxygenase 0.0592 0.4167 0.6586
Brugia malayi Doublecortin family protein 0.0156 0.0817 0.9858
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.1307 0.9657 1
Plasmodium falciparum LCCL domain-containing protein 0.0156 0.0817 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0671 0.4768 0.7535
Loa Loa (eye worm) hypothetical protein 0.0156 0.0817 0.9857
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.1352 1 1

Activities

Activity type Activity value Assay description Source Reference
Rice stem length (functional) = 2.4 cm Compound was tested for its activity in rice stem elongation test at a concentration of 1 microM. Stem length was measured after 7 days of transplantation ChEMBL. 10091696
Rice stem length (functional) = 2.4 cm Compound was tested for its activity in rice stem elongation test at a concentration of 1 microM. Stem length was measured after 7 days of transplantation ChEMBL. 10091696

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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