Compound Detail
CHEMBL3622995
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Basic Information
| ChEMBL ID | CHEMBL3622995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGWIRVUOHABHMB-LRTDBIEQSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.9
MW (Da)
4.63
ALogP
2
HBA
2
HBD
56.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 6.11 | 5.93 | 776.2 | 2 |
| Progesterone receptor CHEMBL208 | IC50 | 5.82 | 5.82 | 1513.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 776.25 | nM | 6.11 | Antagonist activity at ERalpha receptor in human MCF7 cells | 26407012 |
| Progesterone receptor | IC50 | = | 1513.56 | nM | 5.82 | Antagonist activity at progesterone receptor in human MCF cells assessed as estr... | 26407012 |
| Estrogen receptor | IC50 | = | 1778.28 | nM | 5.75 | Binding affinity to ERalpha receptor (unknown origin) | 26407012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26407012 | 10.1021/acs.jmedchem.5b00984 | Progesterone receptor | 3 |
| 26407012 | 10.1021/acs.jmedchem.5b00984 | Estrogen receptor | 2 |
| 26407012 | 10.1021/acs.jmedchem.5b00984 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine