Compound Detail
CHEMBL190279
ALFAXALONE 🧪 Phase II
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🧪 Phase II
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Basic Information
| ChEMBL ID | CHEMBL190279 |
| Name | ALFAXALONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | DUHUCHOQIDJXAT-OLVMNOGESA-N |
7
Targets
14
Activities
2
Assay Types
0
PK Parameters
20
Publications
6
Known Names
Molecular Properties
332.5
MW (Da)
3.77
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
ATC Classification
N01AX05
alfaxalone
Level 1: NERVOUS SYSTEM
Level 2: ANESTHETICS
Activity Summary
EC50 8 meas. best 6.35
IC50 6 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.65 | 5.59 | 226.0 | 3 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.52 | 6.3867 | 300.0 | 3 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | EC50 | 6.35 | 6.35 | 450.0 | 1 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | EC50 | 6.3 | 5.98 | 500.0 | 2 |
| Xenopus laevis CHEMBL613478 | EC50 | 5.95 | 5.605 | 1120.0 | 2 |
| Anura CHEMBL613477 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
| GABA A receptor alpha-2/beta-2/gamma-2 CHEMBL2111413 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine