phentolamine

Ligand id: 502

Name: phentolamine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 47.86
Molecular weight 281.15
XLogP 3.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Bylund DB, Blaxall HS, Iversen LJ, Caron MG, Lefkowitz RJ, Lomasney JW. (1992)
Pharmacological characteristics of alpha 2-adrenergic receptors: comparison of pharmacologically defined subtypes with subtypes identified by molecular cloning.
Mol Pharmacol.42: 1-5. [PMID:1353247]
2. Devedjian JC, Esclapez F, Denis-Pouxviel C, Paris H. (1994)
Further characterization of human alpha 2-adrenoceptor subtypes: [3H]RX821002 binding and definition of additional selective drugs.
Eur J Pharmacol.252: 43-49. [PMID:7908642]
3. Shibata K, Foglar R, Horie K, Obika K, Sakamoto A, Ogawa S, Tsujimoto G. (1995)
KMD-3213, a novel, potent, alpha 1a-adrenoceptor-selective antagonist: characterization using recombinant human alpha 1-adrenoceptors and native tissues.
Mol. Pharmacol.48: 250-258. [PMID:7651358]
4. Waugh DJ, Gaivin RJ, Zuscik MJ, Gonzalez-Cabrera P, Ross SA, Yun J, Perez DM. (2001)
Phe-308 and Phe-312 in transmembrane domain 7 are major sites of alpha 1-adrenergic receptor antagonist binding. Imidazoline agonists bind like antagonists.
J Biol Chem276: 25366-25371. [PMID:11331292]