phenobarbital

Ligand id: 2804

Name: phenobarbital

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 75.27
Molecular weight 232.08
XLogP 2.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Lehmann JM, McKee DD, Watson MA, Willson TM, Moore JT, Kliewer SA. (1998)
The human orphan nuclear receptor PXR is activated by compounds that regulate CYP3A4 gene expression and cause drug interactions.
J. Clin. Invest.102 (5): 1016-23. [PMID:9727070]