Compound Detail
CHEMBL1568698
GANAXOLONE 💊 Approved Drug
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💊 Approved Drug
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL1568698 |
| Name | GANAXOLONE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | PGTVWKLGGCQMBR-FLBATMFCSA-N |
| Therapeutic | ✓ Yes |
5
Targets
8
Activities
3
Assay Types
5
PK Parameters
20
Publications
7
Known Names
12
Indications
1
Mechanisms
Molecular Properties
332.5
MW (Da)
4.99
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2022 |
| 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
Epilepsy Epileptic Syndromes Seizures Spasms, Infantile Spasms, Infantile Status Epilepticus Tuberous Sclerosis Epilepsies, Partial Epilepsy, Complex Partial Fragile X Syndrome Smoking Cessation Stress Disorders, Post-Traumatic
ATC Classification
N03AX27
ganaxolone
Level 1: NERVOUS SYSTEM
Level 2: ANTIEPILEPTICS
Activity Summary
EC50 5 meas. best 7.0
IC50 2 meas. best 7.38
Ki 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-2/beta-1/gamma-2 CHEMBL5291949 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| GABA-A receptor; agonist GABA site CHEMBL2109244 | EC50 | 6.99 | 6.785 | 103.0 | 2 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | EC50 | 6.7 | 6.64 | 200.0 | 2 |
| GABA-A receptor; anion channel CHEMBL2093872 | Ki | 6.1 | 6.1 | 790.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 6.5 | 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 | 51.67 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 10.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine