MMPIP   Click here for help

GtoPdb Ligand ID: 3341

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 70.15
Molecular weight 333.11
XLogP 4.15
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccc(cc1)c1cc2onc(c2c(=O)n1C)c1ccncc1
Isomeric SMILES COc1ccc(cc1)c1cc2onc(c2c(=O)n1C)c1ccncc1
InChI InChI=1S/C19H15N3O3/c1-22-15(12-3-5-14(24-2)6-4-12)11-16-17(19(22)23)18(21-25-16)13-7-9-20-10-8-13/h3-11H,1-2H3
1. Niswender CM, Johnson KA, Miller NR, Ayala JE, Luo Q, Williams R, Saleh S, Orton D, Weaver CD, Conn PJ. (2010)
Context-dependent pharmacology exhibited by negative allosteric modulators of metabotropic glutamate receptor 7.
Mol Pharmacol, 77 (3): 459-68. [PMID:20026717]
2. Suzuki G, Tsukamoto N, Fushiki H, Kawagishi A, Nakamura M, Kurihara H, Mitsuya M, Ohkubo M, Ohta H. (2007)
In vitro pharmacological characterization of novel isoxazolopyridone derivatives as allosteric metabotropic glutamate receptor 7 antagonists.
J Pharmacol Exp Ther, 323 (1): 147-56. [PMID:17609420]