Synonyms
Status
Molecule Category UNKNOWN
UNII 4D6Q6HGC7Z
EPA CompTox DTXSID20188011

Structure

InChI Key LJNUIEQATDYXJH-GSVOUGTGSA-N
Smiles NC[C@@H](F)C[PH](=O)O
InChI
InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H9FNO2P
Molecular Weight 141.08
AlogP -0.25
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 63.32
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 8.0

Bioactivity

Mechanism of Action Action Reference
GABA-B receptor 1 agonist AGONIST PubMed Other
Protein: GABA-B receptor 1

Description: Gamma-aminobutyric acid type B receptor subunit 1

Organism : Homo sapiens

Q9UBS5 ENSG00000204681
Assay Description Organism Bioactivity Reference
Displacement of [3H]GABA from GABABreceptor in rat brain synaptic membranes Rattus norvegicus 5.1 nM
Agonist activity at human recombinant GABABreceptor expressed in CHO-K1 cells assessed as inhibition of intracellular calcium release by FLIPR Homo sapiens 8.64 nM
Agonist activity against human GABAB receptor expressed in HEK cells assessed as increase in cytoplasmic calcium level Homo sapiens 7.943 nM

Cross References

Resources Reference
ChEMBL CHEMBL448343
DrugBank DB11920
FDA SRS 4D6Q6HGC7Z
Guide to Pharmacology 7705
PubChem 9833984
SureChEMBL SCHEMBL349234
ZINC ZINC000040829484