Compound Detail
CHEMBL3752285
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C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3ccc4c(c3)OCO4)C[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL3752285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CICFJJFSPNICFO-ATVBXKRJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
5.29
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.58
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of human aromatase extracted from placental microsomes using [1beta-3... | 26469743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26469743 | 10.1016/j.ejmech.2015.09.038 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine