CGP 12177   Click here for help

GtoPdb Ligand ID: 532

Synonyms: CGP 12177A | CGP12177A
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 90.14
Molecular weight 279.16
XLogP 0.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C
Isomeric SMILES OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C
InChI InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)
InChI Key UMQUQWCJKFOUGV-UHFFFAOYSA-N
References
1. Baker JG. (2005)
The selectivity of beta-adrenoceptor antagonists at the human beta1, beta2 and beta3 adrenoceptors.
Br J Pharmacol, 144 (3): 317-22. [PMID:15655528]
2. Blin N, Camoin L, Maigret B, Strosberg AD. (1993)
Structural and conformational features determining selective signal transduction in the beta 3-adrenergic receptor.
Mol Pharmacol, 44 (6): 1094-104. [PMID:7903415]
3. Joseph SS, Lynham JA, Colledge WH, Kaumann AJ. (2004)
Binding of (-)-[3H]-CGP12177 at two sites in recombinant human beta 1-adrenoceptors and interaction with beta-blockers.
Naunyn Schmiedebergs Arch Pharmacol, 369 (5): 525-32. [PMID:15060759]
4. Louis SN, Nero TL, Iakovidis D, Jackman GP, Louis WJ. (1999)
LK 204-545, a highly selective beta1-adrenoceptor antagonist at human beta-adrenoceptors.
Eur J Pharmacol, 367 (2-3): 431-5. [PMID:10079020]
5. Molenaar P, Sarsero D, Arch JR, Kelly J, Henson SM, Kaumann AJ. (1997)
Effects of (-)-RO363 at human atrial beta-adrenoceptor subtypes, the human cloned beta 3-adrenoceptor and rodent intestinal beta 3-adrenoceptors.
Br J Pharmacol, 120 (2): 165-76. [PMID:9117106]
6. Méjean A, Guillaume JL, Strosberg AD. (1995)
Carazolol: a potent, selective beta 3-adrenoceptor agonist.
Eur J Pharmacol, 291 (3): 359-66. [PMID:8719421]