Detailed information for compound 164247

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 181.275 | Formula: C11H19NO
  • H donors: 0 H acceptors: 0 LogP: 2.98 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCC1=CC(=N)C(O1)(C)C
  • InChi: 1S/C11H19NO/c1-4-5-6-7-9-8-10(12)11(2,3)13-9/h8,12H,4-7H2,1-3H3
  • InChiKey: WROAVDIWCVRYOG-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
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.024 0.0371
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0388 0.848 1
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0202 0.3774 0.3417
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0202 0.3774 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0202 0.3774 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.2352 0.3643
Leishmania major mitochondrial DNA polymerase beta 0.0308 0.6455 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.2352 0.3398
Schistosoma mansoni hypothetical protein 0.0136 0.211 0.0898
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0388 0.848 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0388 0.848 1
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0202 0.3774 0.3417
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0308 0.6455 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0388 0.848 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0162 0.2768 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0202 0.3774 1
Onchocerca volvulus 0.0202 0.3774 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.0105 0.1331 0.3089
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0388 0.848 0.8246
Chlamydia trachomatis glycogen phosphorylase 0.0105 0.1331 0.5
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0202 0.3774 1
Trypanosoma brucei RNA helicase, putative 0.0136 0.211 0.3009
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0308 0.6455 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0146 0.2352 0.3398
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0202 0.3774 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0202 0.3774 1
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.024 0.0371
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0202 0.3774 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0202 0.3774 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0308 0.6455 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0202 0.3774 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0202 0.3774 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.0105 0.1331 0.3089

Activities

Activity type Activity value Assay description Source Reference
ID50 (functional) = 24.2 ug ml-1 Ability to inhibit murine FM3A tumor cell proliferation by 50% ChEMBL. 2913291
ID50 (functional) = 24.2 ug ml-1 Ability to inhibit murine FM3A tumor cell proliferation by 50% ChEMBL. 2913291
ID50 (functional) = 98.3 ug ml-1 Ability to inhibit murine L1210 tumor cell proliferation by 50% ChEMBL. 2913291
ID50 (functional) = 98.3 ug ml-1 Ability to inhibit murine L1210 tumor cell proliferation by 50% ChEMBL. 2913291
ID50 (functional) > 100 ug ml-1 Ability to inhibit human Raji tumor cell proliferation by 50% ChEMBL. 2913291
ID50 (functional) > 100 ug ml-1 Ability to inhibit human Molt/4F tumor cell proliferation by 50% ChEMBL. 2913291
ID50 (functional) > 100 ug ml-1 Ability to inhibit human MT-4 tumor cell proliferation by 50% ChEMBL. 2913291
ID50 (functional) > 100 ug ml-1 Ability to inhibit human CEM tumor cell proliferation by 50% ChEMBL. 2913291
ID50 (functional) > 100 ug ml-1 Ability to inhibit human H9 tumor cell proliferation by 50% ChEMBL. 2913291
ID50 (functional) > 100 ug ml-1 Ability to inhibit human Raji tumor cell proliferation by 50% ChEMBL. 2913291
ID50 (functional) > 100 ug ml-1 Ability to inhibit human MT-4 tumor cell proliferation by 50% ChEMBL. 2913291
ID50 (functional) > 100 ug ml-1 Ability to inhibit human CEM tumor cell proliferation by 50% ChEMBL. 2913291
ID50 (functional) > 100 ug ml-1 Ability to inhibit human H9 tumor cell proliferation by 50% ChEMBL. 2913291

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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