ARBACLOFEN PLACARBIL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: W89H91R7VX

Structure
InChI Key JXTAALBWJQJLGN-KSSFIOAISA-N
Smile CC(C)C(=O)O[C@@H](OC(=O)NC[C@H](CC(=O)O)c1ccc(Cl)cc1)C(C)C
InChI
InChI=1S/C19H26ClNO6/c1-11(2)17(24)26-18(12(3)4)27-19(25)21-10-14(9-16(22)23)13-5-7-15(20)8-6-13/h5-8,11-12,14,18H,9-10H2,1-4H3,(H,21,25)(H,22,23)/t14-,18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H26ClNO6
Molecular Weight 399.87
AlogP 3.81
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 101.93
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
AGONIST GABA-B receptor agonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Sclerosis 3 D009103 ClinicalTrials
Alcoholism 2 D000437 ClinicalTrials
Gastroesophageal Reflux 2 D005764 ClinicalTrials
Back Pain 2 D001416 ClinicalTrials
Muscle Spasticity 2 D009128 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 847353-30-4
ChEMBL CHEMBL2107312
DrugBank DB08892
EPA CompTox DTXSID40233754
FDA SRS W89H91R7VX
PubChem 11281011
SureChEMBL SCHEMBL351833
ZINC ZINC000014209416
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