acetylcysteine   Click here for help

GtoPdb Ligand ID: 10945

Synonyms: Ilube® (eye drops) | N-A-C Sustain® | N-Acetyl-cysteine | N-Acetyl-L-cysteine | NAC | Parvolex®
Approved drug PDB Ligand
acetylcysteine is an approved drug (FDA (1963), UK (1992))
Compound class: Synthetic organic
Comment: Acetylcysteine is a prodrug for L-cysteine synthesis, and L-cysteine is a precursor to the biologic antioxidant glutathione. Hence adminstration of acetylcysteine replenishes glutathione stores.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 105.2
Molecular weight 163.03
XLogP -0.13
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES SC[C@@H](C(=O)O)NC(=O)C
Isomeric SMILES SC[C@@H](C(=O)O)NC(=O)C
InChI InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
InChI Key PWKSKIMOESPYIA-BYPYZUCNSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1963), UK (1992))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
(2R)-2-acetamido-3-sulfanylpropanoic acid
International Nonproprietary Names Click here for help
INN number INN
1535 acetylcysteine
Synonyms Click here for help
Ilube® (eye drops) | N-A-C Sustain® | N-Acetyl-cysteine | N-Acetyl-L-cysteine | NAC | Parvolex®
Database Links Click here for help
BindingDB Ligand 50420190
CAS Registry No. 616-91-1 (source: WHO INN record)
ChEMBL Ligand CHEMBL600
DrugBank Ligand DB06151
GtoPdb PubChem SID 405560386
PubChem CID 12035
RCSB PDB Ligand SC2, 1ZT
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