Ligand id: 6962

Name: roflumilast

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View more information in the IUPHAR Pharmacology Education Project: roflumilast

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 60.45
Molecular weight 402.03
XLogP 3.52
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Huang Z, Mancini JA. (2006)
Phosphodiesterase 4 inhibitors for the treatment of asthma and COPD.
Curr. Med. Chem., 13 (27): 3253-62. [PMID:17168849]
2. Lunniss CJ, Cooper AW, Eldred CD, Kranz M, Lindvall M, Lucas FS, Neu M, Preston AG, Ranshaw LE, Redgrave AJ et al.. (2009)
Quinolines as a novel structural class of potent and selective PDE4 inhibitors: optimisation for oral administration.
Bioorg. Med. Chem. Lett., 19 (5): 1380-5. [PMID:19195882]