Compound Detail
CHEMBL3753196
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C[C@]12CCCC=C1[C@@H]1[C@H]([C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1(F)F
Basic Information
| ChEMBL ID | CHEMBL3753196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCEGWNNPXYNXPL-OZWALMNPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
5.01
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.57
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | Ki | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | Ki | = | 5.0 | nM | 8.3 | Competitive inhibition of human aromatase extracted from placental microsomes by... | 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