Compound Detail
CHEMBL209370
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C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C#N)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL209370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVTDUTYENPZLFP-ULWYFIRJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
301.5
MW (Da)
4.53
ALogP
2
HBA
1
HBD
44.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 7.14 | 7.14 | 72.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 72.0 | nM | 7.14 | Displacement of [35S]TBPS from GABA-A receptor in rat brain membrane | 16854065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16854065 | 10.1021/jm0602920 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 4 |
| 8863799 | 10.1021/jm960304p | Rattus norvegicus | 2 |
| 16854065 | 10.1021/jm0602920 | Xenopus laevis | 2 |
| 16854065 | 10.1021/jm0602920 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine