Ligand id: 7285

Name: protriptyline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 12.03
Molecular weight 263.17
XLogP 8.59
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Gillman PK. (2007)
Tricyclic antidepressant pharmacology and therapeutic drug interactions updated.
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cis-4-(Piperazin-1-yl)-5,6,7a,8,9,10,11,11a-octahydrobenzofuro[2,3-h]quinazolin-2-amine (A-987306), a new histamine H4R antagonist that blocks pain responses against carrageenan-induced hyperalgesia.
J. Med. Chem., 51 (22): 7094-8. [PMID:18983139]
3. Mladenova G, Annedi SC, Ramnauth J, Maddaford SP, Rakhit S, Andrews JS, Zhang D, Porreca F. (2012)
First-in-class, dual-action, 3,5-disubstituted indole derivatives having human nitric oxide synthase (nNOS) and norepinephrine reuptake inhibitory (NERI) activity for the treatment of neuropathic pain.
J. Med. Chem., 55 (7): 3488-501. [PMID:22420844]
4. Tatsumi M, Groshan K, Blakely RD, Richelson E. (1997)
Pharmacological profile of antidepressants and related compounds at human monoamine transporters.
Eur. J. Pharmacol., 340 (2-3): 249-58. [PMID:9537821]