ARC-239   Click here for help

GtoPdb Ligand ID: 524

Synonyms: AR-C239 | ARC239
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 49.85
Molecular weight 406.23
XLogP 3.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C
Isomeric SMILES COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C
InChI InChI=1S/C25H30N2O3/c1-25(2)20-9-5-4-8-18(20)23(28)19(24(25)29)12-13-26-14-16-27(17-15-26)21-10-6-7-11-22(21)30-3/h4-11,19H,12-17H2,1-3H3
InChI Key OSEADGVOKYGIER-UHFFFAOYSA-N
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 (1): 43-9. [PMID:7908642]
3. Uhlén S, Porter AC, Neubig RR. (1994)
The novel alpha-2 adrenergic radioligand [3H]-MK912 is alpha-2C selective among human alpha-2A, alpha-2B and alpha-2C adrenoceptors.
J. Pharmacol. Exp. Ther., 271 (3): 1558-65. [PMID:7996470]