isotretinoin

Ligand id: 7600

Name: isotretinoin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 37.3
Molecular weight 300.21
XLogP 6.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
Biological data supports its action [2], but we have been unable to find publicly available affinity data for this compound at its proposed molecular target(s) to substantiate its MMOA, and have therefore not tagged a primary drug target.