(-)-baclofen   Click here for help

GtoPdb Ligand ID: 1064

Synonyms: (R)-(-)-baclofen | p-chlorophenyl GABA
PDB Ligand
Compound class: Synthetic organic
Comment: (-)-baclofen is a component of the approved drug baclofen, a racemic mixture of two enantiomers, as well as being assigned the INN arbaclofen in its own right.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 63.32
Molecular weight 213.06
XLogP 1.33
No. Lipinski's rules broken 0
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Canonical SMILES NCC(c1ccc(cc1)Cl)CC(=O)O
Isomeric SMILES NC[C@@H](c1ccc(cc1)Cl)CC(=O)O
InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
GABAB receptor Rn Agonist Full agonist 8.5 pIC50 - 1
pIC50 8.5 [1]
GABAB1 Rn Agonist Full agonist 4.4 – 4.6 pIC50 - 2
pIC50 4.4 – 4.6 [2]