Detailed information for compound 38617

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 216.277 | Formula: C10H20N2O3
  • H donors: 3 H acceptors: 3 LogP: -3.07 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCC[C@@H](C(=O)CC(C(=O)O)C)N
  • InChi: 1S/C10H20N2O3/c1-7(10(14)15)6-9(13)8(12)4-2-3-5-11/h7-8H,2-6,11-12H2,1H3,(H,14,15)/t7?,8-/m0/s1
  • InChiKey: GUHHCAVJLIYCJR-MQWKRIRWSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Aminopeptidase B Starlite/ChEMBL References

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
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0 0.5
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0143 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0 0.5
Trypanosoma brucei protein kinase, putative 0.0062 0 0.5
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0143 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0062 0 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0 0.5
Giardia lamblia Kinase, CMGC MAPK 0.0062 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0062 0 0.5
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0143 1 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0 0.5
Brugia malayi hypothetical protein 0.0128 0.8182 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 0.2 mM Inhibition of aminopeptidase M or membrane leucine aminopeptidase; Ki value reporting the slope effect(Kis) ChEMBL. 2566685
IC50 (binding) > 0.2 mM Inhibition of aminopeptidase M or membrane leucine aminopeptidase; Ki value reporting the slope effect(Kis) ChEMBL. 2566685
IC50 (binding) > 1 mM Inhibition of leucine aminopeptidase; Ki value reporting the slope effect(Kis) ChEMBL. 2566685
IC50 (binding) > 1 mM Inhibition of leucine aminopeptidase; Ki value reporting the slope effect(Kis) ChEMBL. 2566685
Ki (binding) = 2 uM Competitive inhibition of aminopeptidase B or arginyl aminopeptidase purified from rat liver; Ki value reporting the slope effect(Kis) ChEMBL. 2566685
Ki (binding) = 2 uM Competitive inhibition of aminopeptidase B or arginyl aminopeptidase purified from rat liver; Ki value reporting the slope effect(Kis) ChEMBL. 2566685

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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