Compound Detail
CHEMBL600
ACETYLCYSTEINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL600 |
| Name | ACETYLCYSTEINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | PWKSKIMOESPYIA-BYPYZUCNSA-N |
| Therapeutic | ✓ Yes |
2
Targets
13
Activities
3
Assay Types
8
PK Parameters
20
Publications
30
Known Names
20
Indications
2
Mechanisms
Molecular Properties
163.2
MW (Da)
-0.49
ALogP
3
HBA
3
HBD
66.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1963 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Glutathione precursor | - | - | ✓ | ✓ |
| Mycolytic | - | - | ✓ | ✓ |
Indications
Chemical and Drug Induced Liver Injury Chemical and Drug Induced Liver Injury Cystic Fibrosis Eye Diseases Wounds and Injuries Acute Kidney Injury Anemia, Sickle Cell Atrial Fibrillation Bulimia Nervosa Common Cold Coronary Disease Diabetic Foot Graft vs Host Disease Hematologic Diseases Hepatitis, Alcoholic Idiopathic Pulmonary Fibrosis Infertility Infertility, Female Influenza, Human Jaundice
ATC Classification
R05CB01
acetylcysteine
Level 1: RESPIRATORY SYSTEM
Level 2: COUGH AND COLD PREPARATIONS
S01XA08
acetylcysteine
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS
V03AB23
acetylcysteine
Level 1: VARIOUS
Level 2: ALL OTHER THERAPEUTIC PRODUCTS
Activity Summary
IC50 7 meas. best 4.68
EC50 5 meas. best 4.55
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.68 | 4.595 | 20700.0 | 2 |
| No relevant target CHEMBL2362975 | EC50 | 4.55 | 4.55 | 27900.0 | 2 |
| No relevant target CHEMBL2362975 | IC50 | 4.07 | 4.07 | 85000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.1 | mL.min-1.kg-1 | Homo sapiens |
| F | 5.0 | % | Homo sapiens |
| Fu | 0.17 | - | Homo sapiens |
| MRT | 3.0 | hr | Homo sapiens |
| T1/2 | 5.5 | hr | Homo sapiens |
| T1/2 | 12.8 | hr | - |
| T1/2 | 10.9 | hr | - |
| T1/2 | 5.6 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20700.0 | nM | 4.68 | Inhibition of hexahistidine-tagged IMP-7 (unknown origin) expressed in Escherich... | 25815530 |
| No relevant target | EC50 | = | 28000.0 | nM | 4.55 | Antioxidant activity of the compound assessed as DPPH radical scavenging activit... | 28064079 |
| No relevant target | EC50 | = | 27900.0 | nM | 4.55 | Antioxidant activity assessed as radical scavenging activity measured after 30 m... | 32688201 |
| Unchecked | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of horseradish peroxidase | 17346963 |
| No relevant target | IC50 | = | 85000.0 | nM | 4.07 | Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... | 29295795 |
Literature References
Data from ChEMBL 36 via Core Engine