BRL 37344   Click here for help

GtoPdb Ligand ID: 567

Synonyms: BRL-37344 | BRL37344
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 78.79
Molecular weight 363.12
XLogP 3.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CC(Cc1ccc(cc1)OCC(=O)O)NCC(c1cccc(c1)Cl)O
Isomeric SMILES C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O
InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
InChI Key ZGGNJJJYUVRADP-ACJLOTCBSA-N
References
1. 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]
2. Dolan JA, Muenkel HA, Burns MG, Pellegrino SM, Fraser CM, Pietri F, Strosberg AD, Largis EE, Dutia MD, Bloom JD et al.. (1994)
Beta-3 adrenoceptor selectivity of the dioxolane dicarboxylate phenethanolamines.
J. Pharmacol. Exp. Ther., 269 (3): 1000-6. [PMID:7912272]
3. Hoffmann C, Leitz MR, Oberdorf-Maass S, Lohse MJ, Klotz KN. (2004)
Comparative pharmacology of human beta-adrenergic receptor subtypes--characterization of stably transfected receptors in CHO cells.
Naunyn Schmiedebergs Arch. Pharmacol., 369 (2): 151-9. [PMID:14730417]
4. Méjean A, Guillaume JL, Strosberg AD. (1995)
Carazolol: a potent, selective beta 3-adrenoceptor agonist.
Eur. J. Pharmacol., 291 (3): 359-66. [PMID:8719421]