Compound Detail
CHEMBL5405528
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@](O)(C(F)F)CC[C@@H]4[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL5405528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDDBWEGKHWGKKZ-LIZRSFICSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
4.84
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 33.0 | nM | 7.48 | Inhibition of rat brain cortical membrane GABA alpha receptor by TBPS binding as... | 37849543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37849543 | 10.1021/acsmedchemlett.3c00388 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine