Ligand id: 534

Name: denopamine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 70.95
Molecular weight 317.16
XLogP 2.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Isogaya M, Sugimoto Y, Tanimura R, Tanaka R, Kikkawa H, Nagao T, Kurose H. (1999)
Binding pockets of the beta(1)- and beta(2)-adrenergic receptors for subtype-selective agonists.
Mol Pharmacol, 56: 875-885. [PMID:10531390]
2. Suzuki T, Nantel F, Bonin H, Valiquette M, Bouvier M. (1993)
Cellular characterization of the pharmacological selectivity and tachyphylactic properties of denopamine for the human beta adrenergic receptors.
J Pharmacol Exp Ther, 267: 785-790. [PMID:7902433]