Detailed information for compound 165785

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 177.264 | Formula: C7H15NO2S
  • H donors: 2 H acceptors: 2 LogP: -2.07 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: SCC(CCCCC(=O)O)N
  • InChi: 1S/C7H15NO2S/c8-6(5-11)3-1-2-4-7(9)10/h6,11H,1-5,8H2,(H,9,10)
  • InChiKey: BNHMPHAWYKRSIF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutamyl aminopeptidase (aminopeptidase A) Starlite/ChEMBL References
Sus scrofa Aminopeptidase N Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis aminopeptidase N Get druggable targets OG5_127217 All targets in OG5_127217
Brugia malayi Peptidase family M1 containing protein Get druggable targets OG5_127217 All targets in OG5_127217
Loa Loa (eye worm) peptidase family M1 containing protein Get druggable targets OG5_127217 All targets in OG5_127217
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127217 All targets in OG5_127217
Onchocerca volvulus Get druggable targets OG5_127217 All targets in OG5_127217
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127217 All targets in OG5_127217
Echinococcus granulosus aminopeptidase N Get druggable targets OG5_127217 All targets in OG5_127217
Schistosoma japonicum ko:K01256 membrane alanyl aminopeptidase [EC3.4.11.2], putative Get druggable targets OG5_127217 All targets in OG5_127217
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis puromycin sensitive aminopeptidase Aminopeptidase N   963 aa 988 aa 28.5 %
Echinococcus multilocularis puromycin sensitive aminopeptidase Aminopeptidase N   963 aa 981 aa 28.8 %
Echinococcus granulosus puromycin sensitive aminopeptidase glutamyl aminopeptidase (aminopeptidase A) 957 aa 968 aa 27.9 %
Echinococcus granulosus puromycin sensitive aminopeptidase Aminopeptidase N   963 aa 975 aa 29.1 %
Onchocerca volvulus Aminopeptidase N   963 aa 893 aa 32.0 %
Echinococcus multilocularis puromycin sensitive aminopeptidase Aminopeptidase N   963 aa 981 aa 29.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0084 0.2129 0.2129
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0722 0.0722
Brugia malayi Peptidase family M1 containing protein 0.0084 0.2129 0.2129
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.02 0.02
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0084 0.2129 1
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0055 0.0975 0.4578
Echinococcus multilocularis aminopeptidase N 0.0286 1 1
Toxoplasma gondii aminopeptidase N protein 0.003 0 0.5
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0055 0.0975 0.4578
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0084 0.2129 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0084 0.2129 1
Onchocerca volvulus 0.0286 1 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0975 0.1102
Toxoplasma gondii aminopeptidase n, putative 0.003 0 0.5
Brugia malayi hypothetical protein 0.0035 0.02 0.02
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0084 0.2129 0.2129
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0055 0.0975 0.0975
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0084 0.2129 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.02 0.0938
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0084 0.2129 0.2129
Loa Loa (eye worm) hypothetical protein 0.0055 0.0975 0.1102
Loa Loa (eye worm) peptidase family M1 containing protein 0.0232 0.7871 0.8898
Schistosoma mansoni hypothetical protein 0.0035 0.02 0.0938
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.003 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.0722 0.0816
Trypanosoma cruzi Aminopeptidase M1, putative 0.0084 0.2129 1
Loa Loa (eye worm) aminopeptidase N 0.0084 0.2129 0.2407
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0084 0.2129 0.2129
Schistosoma mansoni hypothetical protein 0.0033 0.0128 0.0602
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0084 0.2129 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0084 0.2129 0.2129
Loa Loa (eye worm) hypothetical protein 0.0202 0.6717 0.7593
Loa Loa (eye worm) hypothetical protein 0.0257 0.8846 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0084 0.2129 1
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.003 0 0.5
Echinococcus granulosus aminopeptidase N 0.0286 1 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.003 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.02 0.02
Brugia malayi hypothetical protein 0.0084 0.2129 0.2129
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0084 0.2129 0.2129
Trypanosoma cruzi aminopeptidase, putative 0.0084 0.2129 1
Toxoplasma gondii aminopeptidase N, putative 0.003 0 0.5
Entamoeba histolytica aminopeptidase, putative 0.0084 0.2129 1
Onchocerca volvulus 0.0084 0.2129 0.2129
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0084 0.2129 1
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0084 0.2129 0.2129
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0084 0.2129 0.2129
Trypanosoma brucei Aminopeptidase M1, putative 0.0084 0.2129 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0128 0.0145
Plasmodium falciparum M1-family alanyl aminopeptidase 0.003 0 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0084 0.2129 0.2129
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0084 0.2129 0.2129
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0084 0.2129 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0722 0.0722
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0128 0.0128
Trypanosoma brucei Aminopeptidase M1, putative 0.0084 0.2129 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0722 0.0816
Mycobacterium ulcerans aminopeptidase N PepN 0.0084 0.2129 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 70 % Inhibitory activity against Tetanus neurotoxin (TeNt) light chain by using fluorescent synaptobrevin derivative [Pya88]S 39-88 as substrate at 10e-3 M. ChEMBL. 9719598
Ki (binding) = 0.28 uM Inhibitory potency was measured on aminopeptidase N (APN) ChEMBL. 7915326
Ki (binding) = 0.28 uM Inhibitory potency was measured on aminopeptidase N (APN) ChEMBL. 7915326
Ki (binding) = 1.6 uM Inihibitionof aminopeptidase A (APA) ChEMBL. 7915326
Ki (binding) = 1.6 uM Inihibitionof aminopeptidase A (APA) ChEMBL. 7915326

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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