Detailed information for compound 276390

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 220.311 | Formula: C13H20N2O
  • H donors: 2 H acceptors: 1 LogP: 2.96 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC(=O)Nc1ccc(cc1)C(CC)C
  • InChi: 1S/C13H20N2O/c1-4-10(3)11-6-8-12(9-7-11)15-13(16)14-5-2/h6-10H,4-5H2,1-3H3,(H2,14,15,16)
  • InChiKey: NZMMTHOSTUETLB-UHFFFAOYSA-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
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0229 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0032 0 0.5
Onchocerca volvulus 0.0032 0 0.5
Toxoplasma gondii aldose reductase, putative 0.0032 0 0.5
Loa Loa (eye worm) oxidoreductase 0.0032 0 0.5
Onchocerca volvulus 0.0032 0 0.5
Onchocerca volvulus 0.0032 0 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0229 1 1
Onchocerca volvulus 0.0032 0 0.5
Loa Loa (eye worm) oxidoreductase 0.0032 0 0.5
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0229 1 1
Loa Loa (eye worm) oxidoreductase 0.0032 0 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0032 0 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0032 0 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0032 0 0.5
Schistosoma mansoni hypothetical protein 0.0229 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0032 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0 0.5
Mycobacterium ulcerans oxidoreductase 0.0032 0 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0229 1 1
Onchocerca volvulus 0.0032 0 0.5
Onchocerca volvulus 0.0032 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0229 1 1
Loa Loa (eye worm) oxidoreductase 0.0032 0 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0229 1 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0229 1 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0229 1 1
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0229 1 1
Entamoeba histolytica hypothetical protein, conserved 0.0229 1 1
Loa Loa (eye worm) oxidoreductase 0.0032 0 0.5
Giardia lamblia Rrm3p helicase 0.0229 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0032 0 0.5
Entamoeba histolytica DNA repair and recombination protein, putative 0.0229 1 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 132 uM Antiproliferative activity against human HT29 cells ChEMBL. 18023585
GI50 (functional) = 132 uM Antiproliferative activity against human HT29 cells ChEMBL. 18023585
IC50 (functional) = 43 uM Dose required to inhibit cell growth was determined against L1210 cell line of murine lymphocytotic leukemia ChEMBL. 11262080
IC50 (functional) = 43 uM Dose required to inhibit cell growth was determined against L1210 cell line of murine lymphocytotic leukemia ChEMBL. 11262080
IC50 (functional) = 101 uM Dose required to inhibit cell growth was determined against K562 cell line of chronic myelogenous leukemia ChEMBL. 11262080
IC50 (functional) = 101 uM Dose required to inhibit cell growth was determined against K562 cell line of chronic myelogenous leukemia ChEMBL. 11262080
IC50 (functional) = 132 uM Dose required to inhibit cell growth was determined against HT-29 cell line of human adenocarcinoma ChEMBL. 11262080
IC50 (functional) = 132 uM Dose required to inhibit cell growth was determined against HT-29 cell line of human adenocarcinoma ChEMBL. 11262080
NA (functional) 0 Dose required to inhibit cell growth was determined against MDA-MB231 cell line of human non-hormone dependent breast carcinoma ; Not active represents IC50 >400 uM ChEMBL. 11262080
NA (functional) 0 Dose required to inhibit cell growth was determined against CHO cell line; Not active represents IC50 >400 uM ChEMBL. 11262080

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

2 literature references were collected for this gene.

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