ARBACLOFEN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: NYU6UTW25B

Structure
InChI Key KPYSYYIEGFHWSV-QMMMGPOBSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST GABA-B receptor agonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 12
Membrane receptor Family C G protein-coupled receptor Small molecule receptor (family C GPCR) Neurotransmitter receptor (family C GPCR) GABA-B receptor
1000 32-140 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Fragile X Syndrome 3 D005600 ClinicalTrials
Child Development Disorders, Pervasive 3 D002659 ClinicalTrials
Muscle Spasticity 3 D009128 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 69308-37-8
ChEMBL CHEMBL301742
DrugBank DB08891
EPA CompTox DTXSID90219366
FDA SRS NYU6UTW25B
Guide to Pharmacology 3428
PDB 2C0
PubChem 44602
SureChEMBL SCHEMBL351220
ZINC ZINC000000000061
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