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

No information available.
Summary of Clinical Use
Primarily used to treat cystic acne.
Mechanism Of Action and Pharmacodynamic Effects
Isotretinoin has a low affinity for retinoic acid receptors (RAR) and retinoid X receptors (RXR), but metabolites may act as agonists of these nuclear receptors [1]. Activation of RAR modulates the expression of genes essential for regulating cell proliferation and differentiation. Isotretinoin may also posess immunomodulatory and anti-inflammatory activities and has been demonstrated to inhibit ornithine decarboxylase, an action likely to decrease polyamine synthesis and keratinization.
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