Detailed information for compound 586104

Basic information

Technical information
  • TDR Targets ID: 586104
  • Name: (4-nitrophenyl) (2R)-2-(tert-butoxycarbonylam ino)-3-(9H-fluoren-9-ylmethylsulfanyl)propano ate
  • MW: 520.597 | Formula: C28H28N2O6S
  • H donors: 1 H acceptors: 4 LogP: 6.03 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])CSCC1c2ccccc2c2c1cccc2
  • InChi: 1S/C28H28N2O6S/c1-28(2,3)36-27(32)29-25(26(31)35-19-14-12-18(13-15-19)30(33)34)17-37-16-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,29,32)/t25-/m0/s1
  • InChiKey: SRGBVELJQNXQCB-VWLOTQADSA-N  

Network

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Synonyms

  • (2R)-2-[[tert-butoxy(oxo)methyl]amino]-3-(9H-fluoren-9-ylmethylthio)propanoic acid (4-nitrophenyl) ester
  • (4-nitrophenyl) (2R)-3-(9H-fluoren-9-ylmethylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
  • (2R)-2-(tert-butoxycarbonylamino)-3-(9H-fluoren-9-ylmethylthio)propionic acid (4-nitrophenyl) ester
  • N-tert-butyloxycarbonyl-S-9-fluorenylmethylcysteine 4-nitrophenyl ester
  • (2R)-2-[(tert-butoxy-oxomethyl)amino]-3-(9H-fluoren-9-ylmethylthio)propanoic acid (4-nitrophenyl) ester
  • 84888-30-2
  • Bcfm-cys-pnpe
  • L-Cysteine, N-((1,1-dimethylethoxy)carbonyl)-S-(9H-fluoren-9-ylmethyl)-, 4-nitrophenyl ester
  • N-tert-Butyloxycarbonyl-S-9-fluorenylmethyl-L-cysteine p-nitrophenyl ester

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
Loa Loa (eye worm) hypothetical protein 0.0033 0.2136 0.2136
Schistosoma mansoni plexin 0.0056 0.6883 0.6883
Echinococcus multilocularis roundabout 2 0.0033 0.2136 0.2361
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0033 0.1981 0.1981
Loa Loa (eye worm) hypothetical protein 0.0033 0.2136 0.2136
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0033 0.2136 0.2136
Brugia malayi Fibronectin type III domain containing protein 0.0033 0.2136 0.2136
Loa Loa (eye worm) hypothetical protein 0.0033 0.2136 0.2136
Echinococcus multilocularis Immunoglobulin 0.0033 0.2136 0.2361
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.1981 0.219
Loa Loa (eye worm) hypothetical protein 0.0033 0.1981 0.1981
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.1981 0.219
Brugia malayi plexin A 0.0066 0.9047 0.9047
Onchocerca volvulus 0.0033 0.1981 0.1981
Loa Loa (eye worm) hypothetical protein 0.0033 0.2136 0.2136
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.1981 0.219
Brugia malayi Plexin repeat family protein 0.0056 0.6883 0.6883
Loa Loa (eye worm) hypothetical protein 0.0033 0.2136 0.2136
Brugia malayi hypothetical protein 0.0033 0.2136 0.2136
Onchocerca volvulus 0.007 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.6883 0.6883
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.1981 0.219
Echinococcus granulosus defective proboscis extension response 0.0033 0.2136 0.2361
Echinococcus multilocularis plexin a4 0.0066 0.9047 1
Echinococcus multilocularis neuroglian 0.0033 0.2136 0.2361
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.1981 0.219
Schistosoma mansoni hypothetical protein 0.007 1 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0033 0.1981 0.1981
Echinococcus multilocularis ectonucleotide 0.0027 0.0892 0.0986
Echinococcus granulosus neuroglian 0.0033 0.2136 0.2361
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0033 0.2136 0.2361
Loa Loa (eye worm) hypothetical protein 0.0033 0.2136 0.2136
Schistosoma mansoni hypothetical protein 0.0032 0.1943 0.1943
Echinococcus granulosus plexin a4 0.0066 0.9047 1
Schistosoma mansoni vesicular amine transporter 0.0033 0.2136 0.2136
Onchocerca volvulus 0.0033 0.1981 0.1981
Echinococcus granulosus Immunoglobulin 0.0033 0.2136 0.2361
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0033 0.1981 0.1981
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.1981 0.219
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.1981 0.219
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0033 0.2136 0.2361
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0039 0.3357 0.3357
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.1981 0.219
Loa Loa (eye worm) hypothetical protein 0.0033 0.2136 0.2136
Echinococcus multilocularis Immunoglobulin 0.0033 0.2136 0.2361
Loa Loa (eye worm) hypothetical protein 0.0027 0.0892 0.0892
Loa Loa (eye worm) hypothetical protein 0.0032 0.1943 0.1943
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.1981 0.219
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0033 0.1981 0.1981
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.1981 0.219
Brugia malayi Immunoglobulin I-set domain containing protein 0.0039 0.3357 0.3357
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0027 0.0892 0.0986
Loa Loa (eye worm) plexin A 0.0066 0.9047 0.9047
Brugia malayi Immunoglobulin I-set domain containing protein 0.0033 0.2136 0.2136
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0027 0.0892 0.0986
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0033 0.1981 0.1981
Loa Loa (eye worm) hypothetical protein 0.0033 0.1981 0.1981
Schistosoma mansoni cell adhesion molecule 0.0033 0.2136 0.2136
Loa Loa (eye worm) hypothetical protein 0.0033 0.1981 0.1981
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.1981 0.219
Echinococcus granulosus twitchin 0.0033 0.2136 0.2361
Echinococcus granulosus roundabout 2 0.0033 0.2136 0.2361
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.007 1 1
Echinococcus granulosus ectonucleotide 0.0027 0.0892 0.0986
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0033 0.2136 0.2136
Loa Loa (eye worm) hypothetical protein 0.0033 0.2136 0.2136
Onchocerca volvulus 0.0056 0.6883 0.6883
Loa Loa (eye worm) hypothetical protein 0.0033 0.2136 0.2136
Schistosoma mansoni nephrin 0.0033 0.2136 0.2136
Schistosoma mansoni plexin 0.0032 0.1943 0.1943

Activities

No activities found for this compound.

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

No literature references available for this target.

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