LY2389575   

GtoPdb Ligand ID: 9694

Synonyms: LY 2389575 | LY-2389575
Compound class: Synthetic organic
Comment: LY2389575 is a negative allosteric modulator (NAM) that is selective for the metabotropic glutamate receptor 3 [1]. May be used experimentally as the hydrochloride salt.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 41.05
Molecular weight 399.99
XLogP 4.34
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1ccc(c(c1)Cl)CNC1CCN(C1)c1ncc(cn1)Br
Isomeric SMILES Clc1ccc(c(c1)Cl)CN[C@H]1CCN(C1)c1ncc(cn1)Br
InChI InChI=1S/C15H15BrCl2N4/c16-11-7-20-15(21-8-11)22-4-3-13(9-22)19-6-10-1-2-12(17)5-14(10)18/h1-2,5,7-8,13,19H,3-4,6,9H2/t13-/m0/s1
InChI Key PXQNLQLMRMROSB-ZDUSSCGKSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(3S)-1-(5-bromopyrimidin-2-yl)-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine
Synonyms
LY 2389575 | LY-2389575
Comments
LY2389575 is a negative allosteric modulator (NAM) that is selective for the metabotropic glutamate receptor 3 [1]. May be used experimentally as the hydrochloride salt.
Database Links
ChEMBL Ligand CHEMBL2204436
GtoPdb PubChem SID 348353653
PubChem CID 11503055
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