dobutamine

Ligand id: 535

Name: dobutamine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 72.72
Molecular weight 301.17
XLogP 3.66
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
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 Pharmacol56: 875-885. [PMID:10531390]
2. Liapakis G, Chan WC, Papadokostaki M, Javitch JA. (2004)
Synergistic contributions of the functional groups of epinephrine to its affnity and efficacy at the beta(2)-adrenergic receptor.
Mol Pharmacol65: 1181-1190. [PMID:15102946]