Compound Detail
CHEMBL210767
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CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL210767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTJZXDUZVSBJPR-NHQGGFKJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
304.5
MW (Da)
4.21
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2094133 | EC50 | 6.03 | 6.03 | 933.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | EC50 | = | 933.25 | nM | 6.03 | Increase in [3H]flunitrazepam binding to GABA-A receptor in mouse embryo cortica... | 16722640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16722640 | 10.1021/jm060002f | GABA-A receptor; anion channel | 3 |
| 16722640 | 10.1021/jm060002f | Cortical neurone | 2 |
Data from ChEMBL 36 via Core Engine