LY2389575   Click here for help

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.
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2D Structure
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Physico-chemical Properties
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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
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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 Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3S)-1-(5-bromopyrimidin-2-yl)-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine
Synonyms Click here for help
LY 2389575 | LY-2389575
Database Links Click here for help
Specialist databases
GPCRdb Ligand LY2389575
Other databases
ChEMBL Ligand CHEMBL2204436
GtoPdb PubChem SID 348353653
PubChem CID 11503055
Search Google for chemical match using the InChIKey PXQNLQLMRMROSB-ZDUSSCGKSA-N
Search Google for chemicals with the same backbone PXQNLQLMRMROSB
UniChem Compound Search for chemical match using the InChIKey PXQNLQLMRMROSB-ZDUSSCGKSA-N
UniChem Connectivity Search for chemical match using the InChIKey PXQNLQLMRMROSB-ZDUSSCGKSA-N