Compound Detail
CHEMBL130165
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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]1CC[C@@]21CCO1
Basic Information
| ChEMBL ID | CHEMBL130165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJLFFMMLGORKQT-SUDYFYTNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.5
MW (Da)
4.55
ALogP
2
HBA
1
HBD
29.5
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 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.63 | 6.63 | 232.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 232.0 | nM | 6.63 | Inhibition of binding of tert-butyl bicyclophosphorothionate ([35 S]TBPS) at Gam... | 11063608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11063608 | 10.1021/jm000977e | GABA-A receptor; anion channel | 1 |
| 11063608 | 10.1021/jm000977e | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine