GtoPdb Ligand ID: 6810

Synonyms: Trusopt®
dorzolamide is an approved drug (FDA (1994))
Compound class: Synthetic organic
Comment: Marketed formulations may contain dorzolamide hydrochloride (PubChem CID 6918132).
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: dorzolamide

2D Structure
Click here for structure editor
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 -0.74
No. Lipinski's rules broken 0
Canonical SMILES CCNC1CC(C)S(=O)(=O)c2c1cc(s2)S(=O)(=O)N
Isomeric SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2c1cc(s2)S(=O)(=O)N
InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
carbonic anhydrase 12 Hs Inhibitor Inhibition 8.5 pKi - 3
pKi 8.5 (Ki 3.5x10-9 M) [3]
carbonic anhydrase 7 Hs Inhibitor Inhibition 8.5 pKi - 2
pKi 8.5 (Ki 3.5x10-9 M) [2]
carbonic anhydrase 14 Hs Inhibitor Inhibition 7.8 pKi - 1
pKi 7.8 (Ki 1.5x10-8 M) [1]
carbonic anhydrase 1 Hs Inhibitor Inhibition 4.3 pKi - 3
pKi 4.3 (Ki 5x10-5 M) [3]