Compound Detail
CHEMBL4586663
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Basic Information
| ChEMBL ID | CHEMBL4586663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDBUFRGXYZTBCF-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
6.05
ALogP
6
HBA
1
HBD
59.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.79 | 9.665 | 0.2 | 2 |
| Estrogen receptor CHEMBL206 | IC50 | 9.3 | 9.225 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.1622 | nM | 9.79 | Antiproliferative activity against human MCF7:5C cells assessed as reduction in ... | 31746603 |
| Unchecked | IC50 | = | 0.2884 | nM | 9.54 | Antiproliferative activity against human MCF7:WS8 cells assessed as reduction in... | 31746603 |
| Estrogen receptor | IC50 | = | 0.5 | nM | 9.3 | Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by d... | 31746603 |
| Estrogen receptor | IC50 | = | 0.7079 | nM | 9.15 | Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradatio... | 31746603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31746603 | 10.1021/acs.jmedchem.9b01580 | Unchecked | 4 |
| 31746603 | 10.1021/acs.jmedchem.9b01580 | Estrogen receptor | 3 |
Data from ChEMBL 36 via Core Engine