Molecule Details
| InChIKey | PGTVWKLGGCQMBR-FLBATMFCSA-N |
|---|---|
| Compound Name | Ganaxolone |
| Canonical SMILES | 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 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 16 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.74 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05087 |
|---|---|
| Drug Name | Ganaxolone |
| CAS Number | 38398-32-2 |
| Groups | approved investigational |
| ATC Codes | N03AX27 |
| Description | Ganaxolone is the 3β-methylated synthetic analog of [allopregnanolone],[L41130] a metabolite of [progesterone].[A3197] Ganaxolone belongs to a class of compounds referred to as neurosteroids.[A3197] Endogenous neurosteroids, which comprise certain metabolites of progesterone and deoxycorticosterone,... |
Categories: Anticonvulsants Central Nervous System Depressants Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Substrates Fused-Ring Compounds GABA Agents GABA Modulators Nervous System Neuroactive Steroid Gamma-Aminobutyric Acid A Receptor Positive Modulator Neurotransmitter Agents Pregnanes Steroids
Cross-references: BindingDB: 50369240 ChEBI: 177658 CHEMBL1568698 ChemSpider: 5293511 PharmGKB: PA166278301 PubChem:6918305 PubChem:175426940 RxCUI: 2604689 Wikipedia: Ganaxolone ZINC: ZINC000003824281
Target Activities (16)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00591 | GABRP | Homo sapiens | Human | PF02931 PF02932 | 6.7 | IC50 | ChEMBL |
| O14764 | GABRD | Homo sapiens | Human | PF02931 PF02932 | 6.7 | IC50 | ChEMBL |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | IC50 | ChEMBL |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | IC50 | ChEMBL |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | IC50 | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | IC50 | ChEMBL |
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | IC50 | ChEMBL |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | IC50 | ChEMBL |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | IC50 | ChEMBL |
| P47870 | GABRB2 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | IC50 | ChEMBL |
| P48169 | GABRA4 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | IC50 | ChEMBL |
| P78334 | GABRE | Homo sapiens | Human | PF02931 PF02932 | 6.7 | IC50 | ChEMBL |
| Q16445 | GABRA6 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | IC50 | ChEMBL |
| Q8N1C3 | GABRG1 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | IC50 | ChEMBL |
| Q99928 | GABRG3 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | IC50 | ChEMBL |
| Q9UN88 | GABRQ | Homo sapiens | Human | PF02931 PF02932 | 6.7 | IC50 | ChEMBL |
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P14867 | GABRA1 | GABA(A) Receptor | positive allosteric modulator | targets |