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GtoPdb Ligand ID: 1376

Synonyms: GNF-Pf-1401 | UPF 523 | UPF523
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 3
Rotatable bonds 2
Topological polar surface area 100.62
Molecular weight 221.07
XLogP -1.86
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)c1ccc2c(c1)CCC2(N)C(=O)O
Isomeric SMILES OC(=O)c1ccc2c(c1)CCC2(N)C(=O)O
InChI InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)
1. Lavreysen H, Janssen C, Bischoff F, Langlois X, Leysen JE, Lesage AS. (2003)
[3H]R214127: a novel high-affinity radioligand for the mGlu1 receptor reveals a common binding site shared by multiple allosteric antagonists.
Mol Pharmacol, 63 (5): 1082-93. [PMID:12695537]
2. Moroni F, Lombardi G, Thomsen C, Leonardi P, Attucci S, Peruginelli F, Torregrossa SA, Pellegrini-Giampietro DE, Luneia R, Pellicciari R. (1997)
Pharmacological characterization of 1-aminoindan-1,5-dicarboxylic acid, a potent mGluR1 antagonist.
J Pharmacol Exp Ther, 281 (2): 721-9. [PMID:9152378]