LY341495   Click here for help

GtoPdb Ligand ID: 1378

Synonyms: LY 341495 | LY-341,495 | LY-341495
PDB Ligand
Compound class: Synthetic organic
Comment: LY341495 is an antagonist of metabotropic glutamate (mGlu) receptors, with highest potency at the group II mGlu2, 3 and 8 receptors [4].
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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 5
Topological polar surface area 109.85
Molecular weight 353.13
XLogP -0.59
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C1CC1C(C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N
Isomeric SMILES OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N
InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
InChI Key VLZBRVJVCCNPRJ-KPHUOKFYSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
LY 341495 | LY-341,495 | LY-341495
Database Links Click here for help
BindingDB Ligand 50062522
CAS Registry No. 201943-63-7 (source: PubChem)
ChEMBL Ligand CHEMBL432038
GtoPdb PubChem SID 135650552
PubChem CID 9819927
RCSB PDB Ligand Z99
Search Google for chemical match using the InChIKey VLZBRVJVCCNPRJ-KPHUOKFYSA-N
Search Google for chemicals with the same backbone VLZBRVJVCCNPRJ
Search UniChem for chemical match using the InChIKey VLZBRVJVCCNPRJ-KPHUOKFYSA-N
Search UniChem for chemicals with the same backbone VLZBRVJVCCNPRJ
Wikipedia LY-341,495

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Tocris
LY 341495
Cat. No. 1209