Compound Detail
CHEMBL3819549
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C=CC[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
Basic Information
| ChEMBL ID | CHEMBL3819549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCMZRFQODPCUAH-FZVWNVPGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.5
MW (Da)
4.46
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 450.0 | nM | 6.35 | Inhibition of human placental microsomal aromatase using [1beta-3H] androstenedi... | 26689671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26689671 | 10.1021/acs.jmedchem.5b01281 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine