Ligand id: 7114

Name: anagrelide

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: anagrelide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 48.19
Molecular weight 255
XLogP 1.99
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Jones GH, Venuti MC, Alvarez R, Bruno JJ, Berks AH, Prince A. (1987)
Inhibitors of cyclic AMP phosphodiesterase. 1. Analogues of cilostamide and anagrelide.
J. Med. Chem., 30 (2): 295-303. [PMID:3027338]
2. Martinez GR, Walker KA, Hirschfeld DR, Bruno JJ, Yang DS, Maloney PJ. (1992)
3,4-Dihydroquinolin-2(1H)-ones as combined inhibitors of thromboxane A2 synthase and cAMP phosphodiesterase.
J. Med. Chem., 35 (4): 620-8. [PMID:1311763]
3. Meanwell NA, Pearce BC, Roth HR, Smith EC, Wedding DL, Wright JJ, Buchanan JO, Baryla UM, Gamberdella M, Gillespie E et al.. (1992)
Inhibitors of blood platelet cAMP phosphodiesterase. 2. Structure-activity relationships associated with 1,3-dihydro-2H-imidazo[4,5-b]quinolin-2-ones substituted with functionalized side chains.
J. Med. Chem., 35 (14): 2672-87. [PMID:1321910]