paroxetine

Ligand id: 4790

Name: paroxetine

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: paroxetine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 39.72
Molecular weight 329.14
XLogP 4.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Coleman JA, Green EM, Gouaux E. (2016)
X-ray structures and mechanism of the human serotonin transporter.
Nature532 (7599): 334-9. [PMID:27049939]
2. Jacobson KA, Müller CE. (2016)
Medicinal chemistry of adenosine, P2Y and P2X receptors.
Neuropharmacology104: 31-49. [PMID:26686393]
3. North RA, Jarvis MF. (2013)
P2X receptors as drug targets.
Mol. Pharmacol.83 (4): 759-69. [PMID:23253448]
4. Tatsumi M, Groshan K, Blakely RD, Richelson E. (1997)
Pharmacological profile of antidepressants and related compounds at human monoamine transporters.
Eur. J. Pharmacol.340 (2-3): 249-58. [PMID:9537821]