Detailed information for compound 335649

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 293.749 | Formula: C14H16ClN3O2
  • H donors: 2 H acceptors: 3 LogP: 2.33 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCNC(=O)c1cnc2c(c1O)ccc(c2)Cl)C
  • InChi: 1S/C14H16ClN3O2/c1-18(2)6-5-16-14(20)11-8-17-12-7-9(15)3-4-10(12)13(11)19/h3-4,7-8H,5-6H2,1-2H3,(H,16,20)(H,17,19)
  • InChiKey: LYSRTMFIGKTUQF-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
Schistosoma mansoni bromodomain containing protein 0.0073 0.7168 0.7132
Trichomonas vaginalis CAMK family protein kinase 0.0095 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.1838 0.1838
Brugia malayi Bromodomain containing protein 0.0044 0.3501 0.3501
Loa Loa (eye worm) hypothetical protein 0.0044 0.3512 0.3512
Trichomonas vaginalis CAMK family protein kinase 0.0095 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.6643 0.6509
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0473 0.0473
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.1838 0.1838
Schistosoma mansoni kinase 0.0048 0.4039 0.3964
Trichomonas vaginalis CAMK family protein kinase 0.0095 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0095 1 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.1188 0.0838
Loa Loa (eye worm) hypothetical protein 0.003 0.1765 0.1765
Schistosoma mansoni serine/threonine protein kinase 0.0095 1 1
Schistosoma mansoni lamin 0.0031 0.1838 0.1735
Schistosoma mansoni hypothetical protein 0.0024 0.0908 0.0793
Echinococcus granulosus zinc finger protein 0.0022 0.0753 0.0385
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 1 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0383 0.0261
Trichomonas vaginalis CAMK family protein kinase 0.0095 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0095 1 1
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0908 0.0908
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.1188 0.0838
Giardia lamblia Kinase, PLK 0.0095 1 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.3154 0.2881
Brugia malayi intermediate filament protein 0.0031 0.1838 0.1838
Entamoeba histolytica serine/threonine protein kinase, putative 0.0095 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.3859 0.3859
Loa Loa (eye worm) hypothetical protein 0.0049 0.4139 0.4139
Loa Loa (eye worm) hypothetical protein 0.0081 0.826 0.826
Trichomonas vaginalis CAMK family protein kinase 0.0095 1 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0095 1 1
Loa Loa (eye worm) intermediate filament protein 0.0031 0.1838 0.1838
Echinococcus granulosus lamin 0.0031 0.1838 0.1513
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.1838 0.1838
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0095 1 1
Schistosoma mansoni intermediate filament proteins 0.0031 0.1838 0.1735
Echinococcus granulosus intermediate filament protein 0.0031 0.1838 0.1513
Brugia malayi PHD-finger family protein 0.0029 0.1536 0.1536
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.3154 0.2881
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0383 0.0261
Echinococcus multilocularis zinc finger protein 0.0022 0.0753 0.0385
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 1 1
Echinococcus multilocularis lamin dm0 0.0031 0.1838 0.1513
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0095 1 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.1188 0.1077
Echinococcus granulosus lamin dm0 0.0031 0.1838 0.1513
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.6643 0.6509
Echinococcus multilocularis musashi 0.0031 0.1838 0.1513
Schistosoma mansoni zinc finger protein 0.0022 0.0753 0.0636
Brugia malayi Bromodomain containing protein 0.0086 0.8888 0.8888
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0383 0.0261
Echinococcus multilocularis lamin 0.0031 0.1838 0.1513
Trichomonas vaginalis CAMK family protein kinase 0.0095 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0095 1 1
Schistosoma mansoni lamin 0.0031 0.1838 0.1735
Trypanosoma brucei polo-like protein kinase 0.0095 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0383 0.0383
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0383 0.0261

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 14 % In vitro percent inhibition of ConA induced T-cell proliferation at the dose 1 ug/mL ChEMBL. 15908212
Inhibition (functional) = 33.7 % In vitro percent inhibition of ConA induced T-cell proliferation at the dose 10 ug/mL ChEMBL. 15908212
Inhibition (functional) = 99.9 % In vitro percent inhibition of ConA induced T-cell proliferation at the dose 100 ug/mL ChEMBL. 15908212

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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