ARBACLOFEN

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Synonyms
Status
Molecule Category Free-form
UNII NYU6UTW25B
EPA CompTox DTXSID90219366

Structure

InChI Key KPYSYYIEGFHWSV-QMMMGPOBSA-N
Smiles NC[C@H](CC(=O)O)c1ccc(Cl)cc1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12ClNO2
Molecular Weight 213.66
AlogP 1.86
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 63.32
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Mechanism of Action Action Reference
GABA-B receptor agonist AGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 11.7
Membrane receptor Family C G protein-coupled receptor Small molecule receptor (family C GPCR) Neurotransmitter receptor (family C GPCR) GABA-B receptor
- 15-140 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 11.7
Felis catus
- 15-15 - - -
Homo sapiens
79.43 - - - -
Rattus norvegicus
- 32-330 - - -

Target Conservation

Protein: GABA-B receptor
Description: Gamma-aminobutyric acid type B receptor subunit 2
Organism : Homo sapiens
O75899 ENSG00000136928
Protein: GABA-B receptor
Description: Gamma-aminobutyric acid type B receptor subunit 1
Organism : Homo sapiens
Q9UBS5 ENSG00000204681

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL301742
DrugBank DB08891
FDA SRS NYU6UTW25B
Guide to Pharmacology 3428
PDB 2C0
PubChem 44602
SureChEMBL SCHEMBL351220
ZINC ZINC000000000061
CONTENTS