Compound Detail
CHEMBL1801468
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CC(=O)C1=CC[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 | CHEMBL1801468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAIJWZQSAKPKNT-CQMXKPHISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
330.5
MW (Da)
3.69
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.65 | 5.65 | 2220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2220.0 | nM | 5.65 | Displacement of [35S]TBPS from GABA-A receptor picrotoxin binding site in rat br... | 20875742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20875742 | 10.1016/j.bmcl.2010.09.008 | Unchecked | 5 |
| 20875742 | 10.1016/j.bmcl.2010.09.008 | Xenopus laevis | 2 |
Data from ChEMBL 36 via Core Engine