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Compound Detail

CHEMBL1543

GLUTATHIONE
🧪 Phase III
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🧪 Phase III
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1543
Name GLUTATHIONE
Phase Phase III
Structure Type MOL
InChI Key RWSXRVCMGQZWBV-WDSKDSINSA-N

Known Names

Aec glutathione Glutathione Glutathione, l- Glutham Isethion L-glutathione reduced NSC-400639 Reduced l-glutathione Tathione
3
Targets
5
Activities
3
Assay Types
0
PK Parameters
20
Publications
9
Known Names
9
Indications

Molecular Properties

307.3
MW (Da)
-2.21
ALogP
6
HBA
6
HBD
158.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula C10H17N3O6S
MW 307.33
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.48

Indications

Cystic Fibrosis Pain Peripheral Nervous System Diseases Peripheral Nervous System Diseases Breast Neoplasms Pancreatic Neoplasms Parkinson Disease Reperfusion Injury Persian Gulf Syndrome

ATC Classification

V03AB32
glutathione
Level 1: VARIOUS
Level 2: ALL OTHER THERAPEUTIC PRODUCTS

Activity Summary

IC50 3 meas. best 7.7
EC50 1 meas. best 4.3
Ki 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutathione S-transferase kappa 1
CHEMBL4491
 IC50 7.7 7.7 20.0 1
No relevant target
CHEMBL2362975
 EC50 4.3 4.3 50000.0 1
Radical scavenging activity
CHEMBL613712
 IC50 4.02 4.02 96000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutathione S-transferase kappa 1 IC50 = 20.0 nM 7.7 Affinity towards recombinant Glutathione S-transferase (GST) Enzyme. 9632361
No relevant target EC50 = 50000.0 nM 4.3 Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... 37769443
Radical scavenging activity IC50 = 96000.0 nM 4.02 Antioxidant activity assessed as DPPH free radical scavenging activity by UV spe... 19502068

Literature References

PubMed DOI Target Context # Activities
24507926 10.1016/j.bmcl.2014.01.045 NON-PROTEIN TARGET 11
18926709 10.1016/j.bmc.2008.09.068 No relevant target 9
22197395 10.1016/j.bmc.2011.11.049 Lysozyme C 8
- 10.1039/C6MD00006A No relevant target 7
37769443 10.1016/j.bmc.2023.117479 No relevant target 5
18926709 10.1016/j.bmc.2008.09.068 NON-PROTEIN TARGET 5
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
18332173 10.1128/aac.01454-07 Mus musculus 4
28415050 10.1016/j.ejmech.2017.03.061 No relevant target 4
- 10.1016/S0960-894X(97)10109-3 ADMET 3
21247168 10.1021/jm101432z Thoracic aorta 3
18926709 10.1016/j.bmc.2008.09.068 Radical scavenging activity 3
29519735 10.1016/j.bmcl.2018.02.043 Histone-lysine N-methyltransferase EHMT2 3
26894841 10.1016/j.ejmech.2016.02.019 HepG2 3
29519735 10.1016/j.bmcl.2018.02.043 Histone-lysine N-methyltransferase EHMT1 3
18819812 10.1016/j.bmc.2008.09.024 NON-PROTEIN TARGET 2
21657271 10.1021/jm2001663 NON-PROTEIN TARGET 2
10024515 10.1042/0264-6021:3380393 ATP-binding cassette sub-family C member 2 2
19564371 10.1128/aac.00550-09 Mycobacterium tuberculosis variant bovis BCG 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2

Data from ChEMBL 36 via Core Engine