Compound Detail
CHEMBL406188
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C[C@]12C[C@H]3C[C@H]4CC[C@@H](O)C[C@@H]4C[C@@H]3C[C@@H]1CCC2=O
Basic Information
| ChEMBL ID | CHEMBL406188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLXXNJAGZQWNDQ-XTKUNFOOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
3.57
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 250.0 | nM | 6.6 | Displacement of [35S]TBPS from GABAA receptor in rat brain membrane | 18275132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18275132 | 10.1021/jm701128r | Unchecked | 5 |
| 18275132 | 10.1021/jm701128r | Xenopus laevis | 2 |
Data from ChEMBL 36 via Core Engine