Compound Detail
CHEMBL3138025
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@](O)(CCc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL3138025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQBIPYZMADVGQY-QARGTITOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
422.6
MW (Da)
6.60
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.59
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 150.0 | nM | 6.82 | In vitro inhibition of [35S]TBPS binding to gamma-aminobutyric-acid A receptor i... | 9016330 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9016330 | 10.1021/jm9605344 | GABA-A receptor; anion channel | 1 |
| 9016330 | 10.1021/jm9605344 | Rattus norvegicus | 1 |
| 9016330 | 10.1021/jm9605344 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine