Detailed information for compound 587015

Basic information

Technical information
  • TDR Targets ID: 587015
  • Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[(2-amino-6-o xo-3H-purin-7-yl)sulfanyl]propanoyl]-(carboxy methyl)amino]-5-oxo-pentanoic acid
  • MW: 456.434 | Formula: C15H20N8O7S
  • H donors: 6 H acceptors: 8 LogP: -8.16 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)CN(C(=O)[C@H](CSn1cnc2c1c(=O)nc([nH]2)N)N)C(=O)CC[C@@H](C(=O)O)N
  • InChi: 1S/C15H20N8O7S/c16-6(14(29)30)1-2-8(24)22(3-9(25)26)13(28)7(17)4-31-23-5-19-11-10(23)12(27)21-15(18)20-11/h5-7H,1-4,16-17H2,(H,25,26)(H,29,30)(H3,18,20,21,27)/t6-,7-/m0/s1
  • InChiKey: ZKYZKSFUHCEERX-BQBZGAKWSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-2-amino-5-[[(2R)-2-amino-3-[(2-amino-6-oxo-3H-purin-7-yl)thio]-1-oxopropyl]-(carboxymethyl)amino]-5-oxopentanoic acid
  • (2S)-2-azanyl-5-[[(2R)-2-azanyl-3-[(2-azanyl-6-oxo-3H-purin-7-yl)sulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid
  • (2S)-2-amino-5-[[(2R)-2-amino-3-[(2-amino-6-keto-3H-purin-7-yl)thio]propanoyl]-(carboxymethyl)amino]-5-keto-valeric acid
  • (2S)-2-amino-5-[[(2R)-2-amino-3-[(2-amino-6-oxo-3H-purin-7-yl)sulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
  • S-(2-(N(7)-guanyl)ethyl)glutathione
  • 87367-17-7
  • GEGSH
  • Glycine, N-(S-(2-amino-1,6-dihydro-6-oxo-7H-purin-7-yl)-N-L-gamma-glutamyl-L-cysteinyl)-

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
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.067 0.0597
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0304 0.0068
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0237 0.0191
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0698 0.0649
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0304 0.0068
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.0698 0.5269
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0581 0.0668
Echinococcus granulosus jumonji domain containing protein 0.012 0.2096 0.3209
Brugia malayi Pre-SET motif family protein 0.0059 0.0698 0.0802
Schistosoma mansoni DNA polymerase eta 0.0043 0.0344 0.0765
Brugia malayi Bromodomain containing protein 0.0087 0.1325 0.1521
Schistosoma mansoni mixed-lineage leukemia protein mll 0.003 0.0049 0.011
Brugia malayi hypothetical protein 0.0104 0.1719 0.1974
Trichomonas vaginalis set domain proteins, putative 0.0468 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.067 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0283 0.5803 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.0698 0.0649
Toxoplasma gondii PHD-finger domain-containing protein 0.0087 0.1325 1
Plasmodium vivax hypothetical protein, conserved 0.0087 0.1325 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.067 0.0597
Loa Loa (eye worm) hypothetical protein 0.0059 0.0698 0.0802
Trypanosoma cruzi DNA polymerase eta, putative 0.0043 0.0344 1
Echinococcus multilocularis chromobox protein 1 0.0069 0.0927 0.1068
Echinococcus granulosus peregrin 0.0087 0.1325 0.1797
Loa Loa (eye worm) hypothetical protein 0.0148 0.2731 0.3136
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0927 0.0707
Trypanosoma brucei DNA polymerase eta, putative 0.0043 0.0344 1
Echinococcus granulosus chromobox protein 1 0.0069 0.0927 0.1068
Schistosoma mansoni jumonji/arid domain-containing protein 0.0105 0.1739 0.3869
Brugia malayi Heterochromatin protein 1 0.0069 0.0927 0.1064
Echinococcus granulosus chromobox protein 1 0.0069 0.0927 0.1068
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0226 0.4495 0.7604
Schistosoma mansoni chromobox protein 0.0069 0.0927 0.2062
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.067 0.0769
Brugia malayi PHD-finger family protein 0.0087 0.1325 0.1521
Brugia malayi Pre-SET motif family protein 0.0411 0.8708 1
Giardia lamblia PHD finger protein 15 0.0087 0.1325 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0105 0.1739 0.2556
Schistosoma mansoni jumonji domain containing protein 0.0225 0.4478 0.9962
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0698 0.1553
Echinococcus multilocularis jumonji domain containing protein 0.012 0.2096 0.3209
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0226 0.4495 0.5162
Onchocerca volvulus 0.007 0.0955 0.0913
Leishmania major DNA polymerase eta, putative 0.0043 0.0344 0.4737
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.067 0.149
Brugia malayi ImpB/MucB/SamB family protein 0.0043 0.0344 0.0395
Schistosoma mansoni jumonji/arid domain-containing protein 0.0105 0.1739 0.3869
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0087 0.1325 0.2947
Brugia malayi F/Y-rich N-terminus family protein 0.003 0.0049 0.0057
Schistosoma mansoni hypothetical protein 0.0087 0.1325 0.2947
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0698 0.1553
Toxoplasma gondii ImpB/MucB/SamB family protein 0.003 0.005 0.038
Brugia malayi jmjC domain containing protein 0.0105 0.1739 0.1997
Loa Loa (eye worm) hypothetical protein 0.003 0.0047 0.0054
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.0698 0.0649
Plasmodium falciparum phd finger protein, putative 0.0087 0.1325 1
Echinococcus granulosus leukotriene A 4 hydrolase 0.0226 0.4495 0.7604
Brugia malayi chromobox protein homolog 3 0.0039 0.0237 0.0272
Echinococcus granulosus lysine specific demethylase 5A 0.0105 0.1739 0.2556
Loa Loa (eye worm) PHD-finger family protein 0.0087 0.1325 0.1521
Loa Loa (eye worm) hypothetical protein 0.0039 0.0237 0.0272
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.067 0.5
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.067 1
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0226 0.4495 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0087 0.1325 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0304 0.0258
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0927 0.0707
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.067 0.5
Echinococcus multilocularis chromobox protein 1 0.0069 0.0927 0.1068
Loa Loa (eye worm) hypothetical protein 0.0087 0.1325 0.1521
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0283 0.5803 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0698 0.1553
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.007 0.0955 0.2125
Echinococcus multilocularis PHD finger protein rhinoceros 0.0087 0.1325 0.1797
Loa Loa (eye worm) hypothetical protein 0.0043 0.0344 0.0395
Onchocerca volvulus Alhambra homolog 0.0087 0.1325 0.1284
Loa Loa (eye worm) jmjC domain-containing protein 0.0179 0.342 0.3928
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0411 0.8708 1
Echinococcus multilocularis peregrin 0.0087 0.1325 0.1797
Brugia malayi jmjC domain containing protein 0.0283 0.5803 0.6663
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.0649 0.0559
Echinococcus granulosus PHD finger protein rhinoceros 0.0087 0.1325 0.1797
Plasmodium vivax SET domain protein, putative 0.0059 0.0698 0.5269
Schistosoma mansoni chromobox protein 0.0069 0.0927 0.2062
Loa Loa (eye worm) jmjC domain-containing protein 0.0105 0.1739 0.1997
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.0927 0.1064

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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