e-Drug3D

1926

BREXANOLONE

DISCONTINUED


INN
BREXANOLONE

cas 516-54-1
CLASS

NERVOUS SYSTEM
A NEUROACTIVE STEROID GAMMA-AMINOBUTYRIC ACID (GABA) A RECEPTOR POSITIVE MODULATOR
TREATMENT OF POSTPARTUM DEPRESSION (PPD)

ROUTE (list)

INTRAVENOUS

ATC code

N06AX29

PK parameters

VD 195 LITER (65 KILOGRAM)
Cl 65 LITER / HOUR (65 KILOGRAM)
PPB 99 PERCENT
t1/2 9 HOUR

Target

TARGET GAMMA-AMINOBUTYRIC ACID (GABA) A RECEPTOR

PDB
8G4N (NATIVE GABA-A RECEPTOR FROM THE MOUSE BRAIN, ALPHA1-BETA2-GAMMA2 SUBTYPE, IN COMPLEX WITH GABA, ZOLPIDEM, AND ENDOGENOUS NEUROSTEROIDS)

Ligand code = Y4B (link to the list of PDB complexes)

Download experimental 3D coordinates of Y4B with added hydrogens

DrugCentral

Gamma-aminobutyric acid receptor subunit alpha-1 UNIPROT P14867 GABRA1

Download SDF file Pregnan-20-one, 3-hydroxy-, (3alpha,5alpha)-

Formula:
C21H34O2

Calculated chemical properties:

MW 318.48
NB_atoms 23
XLogP 4.60
PSA 35.437
NB_HD 1
NB_HA 2
fsp3 0.95
Lipinski(0=no;1=yes) 1

FDA
NDA 211371 (label) INN (BREXANOLONE) ZULRESSO (SAGE THERAP) APPROVAL= AP YEAR= 2019 DISCONTINUED

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL