Ligand id: 8826

Name: disprocynium24

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 7.12
Molecular weight 355.22
XLogP 8.49
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Graefe KH, Friedgen B, Wölfel R, Bossle F, Russ H, Schömig E. (1997)
1,1'-Diisopropyl-2,4'-cyanine (disprocynium24), a potent uptake2 blocker, inhibits the renal excretion of catecholamines.
Naunyn Schmiedebergs Arch. Pharmacol., 356 (1): 115-25. [PMID:9228198]
2. Gründemann D, Schechinger B, Rappold GA, Schömig E. (1998)
Molecular identification of the corticosterone-sensitive extraneuronal catecholamine transporter.
Nat. Neurosci., 1 (5): 349-51. [PMID:10196521]