ML 10302   Click here for help

GtoPdb Ligand ID: 235

Synonyms: ML-10302
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 1
Rotatable bonds 6
Topological polar surface area 64.79
Molecular weight 312.12
XLogP 2.4
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES COc1cc(N)c(cc1C(=O)OCCN1CCCCC1)Cl
Isomeric SMILES COc1cc(N)c(cc1C(=O)OCCN1CCCCC1)Cl
InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3
1. Berque-Bestel I, Soulier JL, Giner M, Rivail L, Langlois M, Sicsic S. (2003)
Synthesis and characterization of the first fluorescent antagonists for human 5-HT4 receptors.
J Med Chem, 46 (13): 2606-20. [PMID:12801225]
2. Blondel O, Gastineau M, Dahmoune Y, Langlois M, Fischmeister R. (1998)
Cloning, expression, and pharmacology of four human 5-hydroxytryptamine 4 receptor isoforms produced by alternative splicing in the carboxyl terminus.
J Neurochem, 70 (6): 2252-61. [PMID:9603189]
3. Mialet J, Berque-Bestel I, Eftekhari P, Gastineau M, Giner M, Dahmoune Y, Donzeau-Gouge P, Hoebeke J, Langlois M, Sicsic S et al.. (2000)
Isolation of the serotoninergic 5-HT4(e) receptor from human heart and comparative analysis of its pharmacological profile in C6-glial and CHO cell lines.
Br J Pharmacol, 129 (4): 771-81. [PMID:10683202]
4. Mialet J, Berque-Bestel I, Sicsic S, Langlois M, Fischmeister R, Lezoualc'h F. (2000)
Pharmacological characterization of the human 5-HT(4(d)) receptor splice variant stably expressed in Chinese hamster ovary cells.
Br J Pharmacol, 131 (4): 827-35. [PMID:11030734]
5. Mialet J, Dahmoune Y, Lezoualc'h F, Berque-Bestel I, Eftekhari P, Hoebeke J, Sicsic S, Langlois M, Fischmeister R. (2000)
Exploration of the ligand binding site of the human 5-HT(4) receptor by site-directed mutagenesis and molecular modeling.
Br J Pharmacol, 130 (3): 527-38. [PMID:10821780]