dorzolamide

Ligand id: 6810

Name: dorzolamide

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: dorzolamide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 151.33
Molecular weight 324.03
XLogP -0.51
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Innocenti A, Firnges MA, Antel J, Wurl M, Scozzafava A, Supuran CT. (2005)
Carbonic anhydrase inhibitors. Inhibition of the membrane-bound human and bovine isozymes IV with sulfonamides.
Bioorg. Med. Chem. Lett.15 (4): 1149-54. [PMID:15686931]
2. Sethi KK, Vullo D, Verma SM, Tanç M, Carta F, Supuran CT. (2013)
Carbonic anhydrase inhibitors: synthesis and inhibition of the human carbonic anhydrase isoforms I, II, VII, IX and XII with benzene sulfonamides incorporating 4,5,6,7-tetrabromophthalimide moiety.
Bioorg. Med. Chem.21 (19): 5973-82. [PMID:23965175]
3. Vullo D, Innocenti A, Nishimori I, Pastorek J, Scozzafava A, Pastoreková S, Supuran CT. (2005)
Carbonic anhydrase inhibitors. Inhibition of the transmembrane isozyme XII with sulfonamides-a new target for the design of antitumor and antiglaucoma drugs?.
Bioorg. Med. Chem. Lett.15 (4): 963-9. [PMID:15686894]