Detailed information for compound 572870
Basic information
Technical information
- TDR Targets ID: 572870
- Name: (4S)-4-amino-5-[[(1R)-2-(carboxymethylamino)- 2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pe ntanoic acid; 1-ethylpyrrole-2,5-dione
- MW: 432.449 | Formula: C16H24N4O8S
-
H donors: 5
H acceptors: 8
LogP: -4.65
Rotable bonds: 12
Rule of 5 violations (Lipinski): 1 - SMILES: CCN1C(=O)C=CC1=O.SC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N
- InChi: 1S/C10H17N3O6S.C6H7NO2/c11-5(1-2-7(14)15)9(18)13-6(4-20)10(19)12-3-8(16)17;1-2-7-5(8)3-4-6(7)9/h5-6,20H,1-4,11H2,(H,12,19)(H,13,18)(H,14,15)(H,16,17);3-4H,2H2,1H3/t5-,6-;/m0./s1
- InChiKey: ZRPRITAJHBKKNS-GEMLJDPKSA-N
Network
Hover on a compound node to display the structore
Synonyms
- (4S)-4-amino-5-[[(1R)-2-(carboxymethylamino)-1-(mercaptomethyl)-2-oxoethyl]amino]-5-oxopentanoic acid; 1-ethylpyrrole-2,5-dione
- (4S)-4-azanyl-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanyl-propan-2-yl]amino]-5-oxo-pentanoic acid; 1-ethylpyrrole-2,5-dione
- (4S)-4-amino-5-[[(1R)-2-(carboxymethylamino)-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid; 1-ethyl-3-pyrroline-2,5-quinone
- (4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid; 1-ethylpyrrole-2,5-dione
- N-ethylmaleimide-gamma-glutamyl-cysteinyl-glycine
- (4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanyl-propan-2-yl]amino]-5-oxo-pentanoic acid; 1-ethylpyrrole-2,5-dione
- 60189-42-6
- (gamma-Glu-L-cys-gly)-nem
- Gcg-nem
- Glycine, N-(N-L-gamma-glutamyl-L-cysteinyl)-, compd. with 1-ethyl-1H-pyrrole-2,5-dione (1:1)
- S-(Ethylsuccinimido)-gamma-glutamyl-L-cysteinyl-glycine
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 granulosus | potassium large conductance calcium activated | 0.0045 | 1 | 1 |
| Schistosoma mansoni | calcium-activated potassium channel | 0.0042 | 0.7916 | 0.6452 |
| Schistosoma mansoni | calcium-activated potassium channel | 0.0045 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0036 | 0.4126 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0036 | 0.4126 | 0.5 |
| Echinococcus multilocularis | calcium activated potassium channel variant | 0.0042 | 0.7916 | 0.6452 |
| Entamoeba histolytica | hypothetical protein | 0.0036 | 0.4126 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0036 | 0.4126 | 0.5 |
| Loa Loa (eye worm) | large conductance calcium-activated potassium channel alpha subunit ai | 0.0042 | 0.7916 | 1 |
| Echinococcus granulosus | calcium activated potassium channel variant | 0.0042 | 0.7916 | 0.6452 |
| Echinococcus multilocularis | calcium activated potassium channel | 0.0045 | 1 | 1 |
| Echinococcus multilocularis | potassium large conductance calcium activated | 0.0045 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0036 | 0.4126 | 1 |
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.
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.
Bibliographic References
No literature references available for this target.
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