Compound Detail
CHEMBL4564385
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Basic Information
| ChEMBL ID | CHEMBL4564385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDABNZLSCGLKNY-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
5.92
ALogP
7
HBA
2
HBD
79.2
PSA (Ų)
0.27
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.92 | 9.58 | 0.1 | 2 |
| Estrogen receptor CHEMBL206 | IC50 | 8.29 | 8.07 | 5.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.1202 | nM | 9.92 | Antiproliferative activity against human MCF7:5C cells assessed as reduction in ... | 31746603 |
| Unchecked | IC50 | = | 0.5754 | nM | 9.24 | Antiproliferative activity against human MCF7:WS8 cells assessed as reduction in... | 31746603 |
| Estrogen receptor | IC50 | = | 5.129 | nM | 8.29 | Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradatio... | 31746603 |
| Estrogen receptor | IC50 | = | 14.0 | nM | 7.85 | Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by d... | 31746603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31746603 | 10.1021/acs.jmedchem.9b01580 | Unchecked | 5 |
| 31746603 | 10.1021/acs.jmedchem.9b01580 | Estrogen receptor | 4 |
Data from ChEMBL 36 via Core Engine