BACLOFEN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC M03BX01
UNII H789N3FKE8
EPA CompTox DTXSID5022641

Structure

InChI Key KPYSYYIEGFHWSV-UHFFFAOYSA-N
Smiles NCC(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)

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 Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel GABA-A receptor
- 30 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 6.2
Membrane receptor Family C G protein-coupled receptor Small molecule receptor (family C GPCR) Neurotransmitter receptor (family C GPCR) GABA-B receptor
- 30-420 - - 64.9
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 80.8-102.22
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 20.7
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 6.2-75
Cricetulus griseus
- - - - 80.8-102.22
Felis catus
- 35 - - -
Homo sapiens
750 - - - 20.7-64.9
Rattus norvegicus
- 30-420 - 220 -

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
ChEBI 2972
ChEMBL CHEMBL701
DrugBank DB00181
DrugCentral 282
FDA SRS H789N3FKE8
Human Metabolome Database HMDB0014327
Guide to Pharmacology 1084
KEGG D00241
PharmGKB PA448533
PubChem 2284
SureChEMBL SCHEMBL19333
ZINC ZINC00085733
CONTENTS