Ligand id: 9151

Name: crisaborole

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 62.48
Molecular weight 251.08
XLogP 2.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Akama T, Baker SJ, Zhang YK, Hernandez V, Zhou H, Sanders V, Freund Y, Kimura R, Maples KR, Plattner JJ. (2009)
Discovery and structure-activity study of a novel benzoxaborole anti-inflammatory agent (AN2728) for the potential topical treatment of psoriasis and atopic dermatitis.
Bioorg. Med. Chem. Lett., 19 (8): 2129-32. [PMID:19303290]
2. Moustafa F, Feldman SR. (2014)
A review of phosphodiesterase-inhibition and the potential role for phosphodiesterase 4-inhibitors in clinical dermatology.
Dermatol. Online J., 20 (5): 22608. [PMID:24852768]