Compound Detail
CHEMBL207538
BREXANOLONE 💊 Approved Drug
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💊 Approved Drug
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL207538 |
| Name | BREXANOLONE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | AURFZBICLPNKBZ-SYBPFIFISA-N |
| Therapeutic | ✓ Yes |
10
Targets
40
Activities
2
Assay Types
12
PK Parameters
20
Publications
8
Known Names
12
Indications
1
Mechanisms
Molecular Properties
318.5
MW (Da)
4.60
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2019 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| GABA-A receptor; anion channel positive allosteric modulator | POSITIVE ALLOSTERIC MODULATOR | GABA-A receptor; anion channel | ✓ | ✓ |
Indications
Depression, Postpartum Depressive Disorder Depressive Disorder Status Epilepticus Alzheimer Disease Brain Injuries Essential Tremor Stress Disorders, Post-Traumatic Tinnitus Alcoholism Parkinson Disease Psychotic Disorders
ATC Classification
N06AX29
brexanolone
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOANALEPTICS
Drug Warnings
Black Box Warning
cardiotoxicity
Activity Summary
IC50 28 meas. best 7.66
EC50 12 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.66 | 6.889 | 22.0 | 10 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 7.29 | 6.9555 | 51.0 | 11 |
| GABA-A receptor; agonist GABA site CHEMBL2109244 | EC50 | 7.12 | 6.87 | 75.5 | 2 |
| Gamma-aminobutyric acid receptor subunit alpha-4/beta3/delta CHEMBL3430899 | EC50 | 7.12 | 7.12 | 75.5 | 1 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | EC50 | 6.8 | 6.71 | 160.0 | 2 |
| Xenopus laevis CHEMBL613478 | EC50 | 6.38 | 5.82 | 420.0 | 6 |
| GABA-A receptor; anion channel CHEMBL2094133 | EC50 | 6.06 | 6.06 | 871.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.1 | 4.98 | 7943.3 | 5 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.18 | 4.18 | 66000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.333 | mL.min-1.kg-1 | Homo sapiens |
| CL | 55.67 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 67.5 | mL.min-1.kg-1 | Mus musculus |
| CL | 80.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 8.333 | mL.min-1.kg-1 | Homo sapiens |
| CL | 55.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 66.67 | mL.min-1.kg-1 | Mus musculus |
| CL | 80.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 200.0 | mL.min-1.kg-1 | Mus musculus |
| F | 2.3 | % | Rattus norvegicus |
| F | 2.0 | % | Rattus norvegicus |
| F | - | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine