Detailed information for compound 318790

Basic information

Technical information
  • TDR Targets ID: 318790
  • Name: 5-(diaminomethylideneamino)-2-(phenylmethoxyc arbonylamino)pentanoic acid
  • MW: 308.333 | Formula: C14H20N4O4
  • H donors: 4 H acceptors: 3 LogP: 0.61 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)NCCCC(C(=O)O)NC(=O)OCc1ccccc1
  • InChi: 1S/C14H20N4O4/c15-13(16)17-8-4-7-11(12(19)20)18-14(21)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,18,21)(H,19,20)(H4,15,16,17)
  • InChiKey: SJSSFUMSAFMFNM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(benzyloxycarbonylamino)-5-guanidino-pentanoic acid
  • 2-(benzyloxycarbonylamino)-5-guanidinopentanoic acid
  • 5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoic acid
  • 2-(benzyloxycarbonylamino)-5-guanidino-valeric acid
  • 5-(diaminomethylideneazaniumyl)-2-(phenylmethoxycarbonylamino)pentanoate
  • 2-(benzyloxycarbonylamino)-5-(diaminomethyleneammonio)pentanoate
  • 5-[bis(azanyl)methylideneazaniumyl]-2-(phenylmethoxycarbonylamino)pentanoate
  • 2-(benzyloxycarbonylamino)-5-(diaminomethyleneammonio)valerate
  • benzyloxycarbonylarginine
  • 5-guanidino-2-(phenylmethoxycarbonylamino)pentanoic acid
  • 5-guanidino-2-[[oxo-(phenylmethoxy)methyl]amino]pentanoic acid
  • NCIOpen2_009645
  • Arginine, N2-carboxy-, N2-benzyl ester, L-
  • L-Arginine, N2-[(phenylmethoxy)carbonyl]-
  • 5-(diaminomethyleneazaniumyl)-2-(phenylmethoxycarbonylamino)pentanoate
  • 5-(diaminomethyleneazaniumyl)-2-[[oxo-(phenylmethoxy)methyl]amino]pentanoate
  • 2-(benzyloxycarbonylamino)-5-(diaminomethyleneazaniumyl)valerate

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 survival motor neuron protein 0.0045 0.1325 0.2606
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.076 0.076
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0021 0.0023
Schistosoma mansoni lamin 0.0033 0.076 0.1476
Echinococcus granulosus smad 0.0016 0.0021 0.0023
Echinococcus granulosus Smad4 0.0016 0.0021 0.0023
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0021 0.0023
Schistosoma mansoni thyroid hormone receptor 0.0127 0.5027 1
Brugia malayi hypothetical protein 0.0221 0.9263 0.9262
Echinococcus multilocularis tar DNA binding protein 0.0126 0.4973 0.5369
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.1001 0.1081
Schistosoma mansoni tar DNA-binding protein 0.0126 0.4973 0.9894
Brugia malayi RNA binding protein 0.0126 0.4973 0.4963
Schistosoma mansoni intermediate filament proteins 0.0033 0.076 0.1476
Echinococcus multilocularis musashi 0.0033 0.076 0.082
Echinococcus granulosus lamin dm0 0.0033 0.076 0.082
Schistosoma mansoni jumonji domain containing protein 0.0055 0.1772 0.3497
Entamoeba histolytica hypothetical protein 0.0038 0.1001 0.5
Onchocerca volvulus 0.0045 0.1325 1
Echinococcus granulosus survival motor neuron protein 1 0.0221 0.9263 1
Schistosoma mansoni tar DNA-binding protein 0.0126 0.4973 0.9894
Schistosoma mansoni jumonji/arid domain-containing protein 0.0055 0.1772 0.3497
Schistosoma mansoni hypothetical protein 0.0038 0.1001 0.1958
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0126 0.4973 0.4973
Echinococcus multilocularis lysine specific demethylase 5A 0.0055 0.1772 0.1913
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0118 0.46 0.4966
Schistosoma mansoni tar DNA-binding protein 0.0126 0.4973 0.9894
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0055 0.1772 0.1913
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.1001 0.1081
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0021 0.0023
Loa Loa (eye worm) TAR-binding protein 0.0126 0.4973 0.4973
Echinococcus granulosus tar DNA binding protein 0.0126 0.4973 0.5369
Echinococcus multilocularis lamin 0.0033 0.076 0.082
Loa Loa (eye worm) transcription factor SMAD2 0.0238 1 1
Echinococcus granulosus intermediate filament protein 0.0033 0.076 0.082
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0021 0.0021
Echinococcus multilocularis survival motor neuron protein 1 0.0221 0.9263 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.076 0.074
Loa Loa (eye worm) intermediate filament protein 0.0033 0.076 0.076
Schistosoma mansoni hypothetical protein 0.0118 0.46 0.9149
Schistosoma mansoni lamin 0.0033 0.076 0.1476
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0118 0.46 0.4966
Schistosoma mansoni tar DNA-binding protein 0.0126 0.4973 0.9894
Echinococcus multilocularis Smad4 0.0016 0.0021 0.0023
Schistosoma mansoni thyroid hormone receptor 0.0127 0.5027 1
Echinococcus granulosus lysine specific demethylase 5A 0.0055 0.1772 0.1913
Loa Loa (eye worm) RNA binding protein 0.0126 0.4973 0.4973
Loa Loa (eye worm) MH2 domain-containing protein 0.0238 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.076 0.076
Brugia malayi TAR-binding protein 0.0126 0.4973 0.4963
Schistosoma mansoni hypothetical protein 0.0045 0.1325 0.2606
Brugia malayi intermediate filament protein 0.0033 0.076 0.074
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.1001 0.1958
Entamoeba histolytica hypothetical protein 0.0038 0.1001 0.5
Brugia malayi jmjC domain containing protein 0.0055 0.1772 0.1754
Loa Loa (eye worm) hypothetical protein 0.0032 0.0733 0.0733
Schistosoma mansoni jumonji/arid domain-containing protein 0.0055 0.1772 0.3497
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0045 0.1325 0.1307
Schistosoma mansoni tar DNA-binding protein 0.0126 0.4973 0.9894
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0078 0.0057
Echinococcus granulosus lamin 0.0033 0.076 0.082
Loa Loa (eye worm) Smad1 0.0016 0.0021 0.0021
Echinococcus multilocularis thyroid hormone receptor alpha 0.0127 0.5027 0.5426
Loa Loa (eye worm) jmjC domain-containing protein 0.0055 0.1772 0.1772
Echinococcus multilocularis lamin dm0 0.0033 0.076 0.082
Brugia malayi RNA recognition motif domain containing protein 0.0126 0.4973 0.4963
Loa Loa (eye worm) hypothetical protein 0.0221 0.9263 0.9263
Entamoeba histolytica hypothetical protein 0.0038 0.1001 0.5
Brugia malayi jmjC domain containing protein 0.0055 0.1772 0.1754
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0021 0.0023
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0021 0.0021
Entamoeba histolytica hypothetical protein 0.0038 0.1001 0.5
Echinococcus multilocularis smad 0.0016 0.0021 0.0023
Brugia malayi hypothetical protein 0.0038 0.1001 0.0982
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0078 0.0078
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0055 0.1772 0.1913

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 1.97 % Percentage inhibition against tryptase at 10 uM ChEMBL. 15745817
Inhibition (binding) = 1.97 % Percentage inhibition against tryptase at 10 uM ChEMBL. 15745817

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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