otenzepad   Click here for help

GtoPdb Ligand ID: 309

Synonyms: AF-DX 116 | AFDX116
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 74.23
Molecular weight 421.25
XLogP 3.27
No. Lipinski's rules broken 0
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Canonical SMILES CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC
Isomeric SMILES CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC
InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
1. Buckley NJ, Bonner TI, Buckley CM, Brann MR. (1989)
Antagonist binding properties of five cloned muscarinic receptors expressed in CHO-K1 cells.
Mol Pharmacol, 35 (4): 469-76. [PMID:2704370]
2. Esqueda EE, Gerstin Jr EH, Griffin MT, Ehlert FJ. (1996)
Stimulation of cyclic AMP accumulation and phosphoinositide hydrolysis by M3 muscarinic receptors in the rat peripheral lung.
Biochem Pharmacol, 52 (4): 643-58. [PMID:8759038]
3. Kashihara K, Varga EV, Waite SL, Roeske WR, Yamamura HI. (1992)
Cloning of the rat M3, M4 and M5 muscarinic acetylcholine receptor genes by the polymerase chain reaction (PCR) and the pharmacological characterization of the expressed genes.
Life Sci, 51 (12): 955-71. [PMID:1325587]
4. Kovacs I, Yamamura HI, Waite SL, Varga EV, Roeske WR. (1998)
Pharmacological comparison of the cloned human and rat M2 muscarinic receptor genes expressed in the murine fibroblast (B82) cell line.
J Pharmacol Exp Ther, 284 (2): 500-7. [PMID:9454790]
5. Stein R, Pinkas-Kramarski R, Sokolovsky M. (1988)
Cloned M1 muscarinic receptors mediate both adenylate cyclase inhibition and phosphoinositide turnover.
EMBO J, 7 (10): 3031-5. [PMID:2846274]