Compound Detail
CHEMBL273571
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CC(=O)OC(C(C)=O)[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2
Basic Information
| ChEMBL ID | CHEMBL273571 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNBBTEFWSPALIQ-AZGLATBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
358.5
MW (Da)
4.02
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2094114 | Kd | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | Kd | = | 5100.0 | nM | 5.29 | Equilibrium dissociation constant for rat uterine estrogen receptor binding [3H]... | 6471068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6471068 | 10.1021/jm00375a008 | Progesterone receptor | 1 |
| 6471068 | 10.1021/jm00375a008 | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine