tolazoline   

GtoPdb Ligand ID: 7310

Synonyms: TCMDC-125842
tolazoline is an approved drug (FDA (1948))
Compound class: Synthetic organic
Comment: Tolazoline is a non-selective α-adrenoceptor antagonist.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 24.39
Molecular weight 160.1
XLogP 1.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES c1ccc(cc1)CC1=NCCN1
Isomeric SMILES c1ccc(cc1)CC1=NCCN1
InChI InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
InChI Key JIVZKJJQOZQXQB-UHFFFAOYSA-N
Bioactivity Comments
In vitro experiments have shown that tolazoline inhibits noradrenaline-induced contraction of isolated radial arteries from human patients with a pEC50 of 5.4 [2].
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
α2A-adrenoceptor Hs Antagonist Antagonist 6.7 pKi - 1
pKi 6.7 (Ki 1.99x10-7 M) [1]
Description: Inhibition of agonist-stimulated [35S]GTPγS binding
α2B-adrenoceptor Hs Antagonist Antagonist 5.5 pKi - 1
pKi 5.5 (Ki 3.162x10-6 M) [1]
Description: Inhibition of agonist-stimulated [35S]GTPγS binding
α2C-adrenoceptor Hs Antagonist Antagonist 5.4 pKi - 1
pKi 5.4 (Ki 3.715x10-6 M) [1]
Description: Inhibition of agonist-stimulated [35S]GTPγS binding