Compound Detail
CHEMBL4866633
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C[C@H]1C[C@]2(O)O[C@@]1(C)C=C1CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]12
Basic Information
| ChEMBL ID | CHEMBL4866633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUEHRHZAFVMRFF-INAMJSSCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
304.5
MW (Da)
4.67
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 11800.0 | nM | 4.93 | Inhibition of aromatase (unknown origin) | 34110821 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34110821 | 10.1021/acs.jnatprod.0c01292 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine