Ligand id: 2778

Name: calcipotriol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 60.69
Molecular weight 412.3
XLogP 5.82
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
Calcipotriol is used to treat adults with psoriasis, usually in combination with an anti-inflammatory agent such as a steroid.
Mechanism Of Action and Pharmacodynamic Effects
In relation to psoriasis it is thought that binding of calcipotriol to the vitamin D receptor modulates gene transcription of T cells involved in disease aetiology.