SGS-742

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Synonyms
Status
Molecule Category Free-form
UNII GBZ5UC0RME
EPA CompTox DTXSID10154063

Structure

InChI Key ONNMDRQRSGKZCN-UHFFFAOYSA-N
Smiles CCCCP(=O)(O)CCCN
InChI
InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H18NO2P
Molecular Weight 179.2
AlogP 1.41
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 63.32
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 11.0

Pharmacology

Mechanism of Action Action Reference
GABA-B receptor antagonist ANTAGONIST PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - - 0
Ion channel Ligand-gated ion channel GABA-A receptor
- - - - 0
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor AMPA receptor
- - - - 7
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor Kainate receptor
- - - - 8
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- - - - 0
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neurokinin receptor
- - - - 0
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - - 0
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - - 0-0
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - - 0-0
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - - 6-7
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - - 0
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- - - - 0

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

Cross References

Resources Reference
ChEMBL CHEMBL112797
DrugBank DB05010
FDA SRS GBZ5UC0RME
Guide to Pharmacology 1085
SureChEMBL SCHEMBL195133
ZINC ZINC000026982268
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