Compound Detail
CHEMBL1629803
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C[C@]12CC[C@H]3O[C@H]3[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL1629803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZPYFZKJJONAHZ-JGRZZSDMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
290.4
MW (Da)
3.77
ALogP
2
HBA
1
HBD
32.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 5.19 | 5.19 | 6500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of human placental aromatase | 20926163 |
| Aromatase | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of human placental microsome aromatase using [1beta[3H]]androstenedio... | 31129450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20926163 | 10.1016/j.ejmech.2010.09.011 | Aromatase | 2 |
| 31129450 | 10.1016/j.ejmech.2019.05.023 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine