paracetamol   Click here for help

GtoPdb Ligand ID: 5239

Synonyms: acetaminophen | N-Acetyl-p-aminophenol | Panadol® | Tylenol®
Approved drug PDB Ligand
paracetamol is an approved drug (FDA (1968))
Compound class: Synthetic organic
Comment: Paracetamol is approved by the US FDA as acetaminophen. Paracetamol is a widely used analgesic and antipyretic drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 49.33
Molecular weight 151.06
XLogP 0.87
No. Lipinski's rules broken 0
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Canonical SMILES CC(=O)Nc1ccc(cc1)O
Isomeric SMILES CC(=O)Nc1ccc(cc1)O
InChI InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
1. Hinz B, Cheremina O, Brune K. (2008)
Acetaminophen (paracetamol) is a selective cyclooxygenase-2 inhibitor in man.
FASEB J, 22 (2): 383-90. [PMID:17884974]
2. Nakagawa F, Higashi S, Ando E, Ohsumi T, Watanabe S, Takeuchi H. (2020)
Modification of TRPV4 activity by acetaminophen.
Heliyon, 6 (1): e03301. [PMID:32051870]