Detailed information for compound 338851

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 200.321 | Formula: C11H24N2O
  • H donors: 2 H acceptors: 1 LogP: 2.25 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCNC(=O)[C@H](CCCC)N
  • InChi: 1S/C11H24N2O/c1-3-5-7-9-13-11(14)10(12)8-6-4-2/h10H,3-9,12H2,1-2H3,(H,13,14)/t10-/m0/s1
  • InChiKey: LDERJWZDSBGIQU-JTQLQIEISA-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 dipeptidyl-peptidase 7 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus Lysosomal Pro X carboxypeptidase Get druggable targets OG5_139351 All targets in OG5_139351
Schistosoma mansoni family S28 unassigned peptidase (S28 family) Get druggable targets OG5_139351 All targets in OG5_139351
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase Get druggable targets OG5_139351 All targets in OG5_139351
Schistosoma japonicum ko:K01276 dipeptidyl-peptidase II [EC3.4.14.2], putative Get druggable targets OG5_139351 All targets in OG5_139351
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi serine carboxypeptidase S28, putative dipeptidyl-peptidase 7 492 aa 471 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major N-myristoyl transferase, putative 0.0174 0.3537 0.5
Echinococcus granulosus glutamate receptor NMDA 0.0139 0.2736 0.2736
Trypanosoma brucei N-myristoyl transferase, putative 0.0174 0.3537 0.5
Onchocerca volvulus 0.0025 0.0107 0.5
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0174 0.3537 1
Echinococcus multilocularis nmda type glutamate receptor 0.0146 0.289 0.289
Echinococcus granulosus nmda type glutamate receptor 0.0146 0.289 0.289
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0034 0.0316 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0186 0.3807 0.3807
Echinococcus multilocularis glutamate receptor NMDA 0.0139 0.2736 0.2736
Toxoplasma gondii serine carboxypeptidase s28 protein 0.0025 0.0107 0.5
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0034 0.0316 0.5
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0456 1 1
Echinococcus granulosus nmda type glutamate receptor 0.0186 0.3807 0.3807
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0174 0.3537 0.3537
Trichomonas vaginalis N-myristoyl transferase, putative 0.0174 0.3537 1
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.0456 1 1
Chlamydia trachomatis glutamine binding protein 0.0034 0.0316 0.5
Trypanosoma brucei N-myristoyltransferase 0.0174 0.3537 0.5
Trypanosoma cruzi N-myristoyl transferase, putative 0.0174 0.3537 1
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0174 0.3537 0.5
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0174 0.3537 0.3537
Schistosoma mansoni N-myristoyltransferase 0.0174 0.3537 0.3467
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0047 0.0616 0.0616
Trichomonas vaginalis N-myristoyl transferase, putative 0.0115 0.2168 0.6009
Giardia lamblia CDC72 0.0174 0.3537 1
Brugia malayi N-myristoyltransferase 2 0.0174 0.3537 1
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0034 0.0316 0.5
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0025 0.0107 0.0107
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0174 0.3537 0.5
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0025 0.0107 0.0107
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0034 0.0316 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0159 0.3191 0.3117
Trypanosoma cruzi N-myristoyl transferase, putative 0.0174 0.3537 1
Loa Loa (eye worm) N-myristoyltransferase 2 0.0174 0.3537 1
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0034 0.0316 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) nM Inhibitory concentration against human dipeptidylpeptidase 9 using FP-TAMRA incubated for 30 min; ni = no inhibition at 20 uM concentration ChEMBL. 16084722
IC50 (binding) nM Inhibitory concentration against human dipeptidylpeptidase 8 using FP-TAMRA incubated for 30 min; ni = no inhibition at 20 uM concentration ChEMBL. 16084722
IC50 (binding) nM Inhibitory concentration against human fibroblast activation protein alpha; ni = no inhibition at 33 uM concentration ChEMBL. 16084722
IC50 (binding) NI 0 nM Inhibitory concentration against human fibroblast activation protein alpha; ni = no inhibition at 33 uM concentration ChEMBL. 16084722
IC50 (binding) NI 0 nM Inhibitory concentration against human dipeptidylpeptidase 8 using FP-TAMRA incubated for 30 min; ni = no inhibition at 20 uM concentration ChEMBL. 16084722
IC50 (binding) NI 0 nM Inhibitory concentration against human dipeptidylpeptidase 9 using FP-TAMRA incubated for 30 min; ni = no inhibition at 20 uM concentration ChEMBL. 16084722
IC50 (binding) = 5500 nM Inhibitory concentration against human dipeptidylpeptidase 7 ChEMBL. 16084722
IC50 (binding) = 5500 nM Inhibitory concentration against human dipeptidylpeptidase 7 ChEMBL. 16084722
Inhibition (binding) = 35 % Percent inhibition against human dipeptidylpeptidase 4 at 33 uM concentration ChEMBL. 16084722
Inhibition (binding) = 35 % Percent inhibition against human dipeptidylpeptidase 4 at 33 uM concentration ChEMBL. 16084722

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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