Compound Detail
CHEMBL5285617
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](O)C[C@@H]5O[C@H](C[C@]12C)[C@@H]3[C@]45C
Basic Information
| ChEMBL ID | CHEMBL5285617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLCQTQAUAJGNLL-FDKYLEAMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
330.5
MW (Da)
3.50
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| 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 rat synaptosomes GABAA receptor incubated for 90... | 29223589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29223589 | 10.1016/j.bmcl.2017.11.043 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine