Compound Detail
CHEMBL4449497
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Basic Information
| ChEMBL ID | CHEMBL4449497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDGXBCVJTLQJEN-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
339.5
MW (Da)
5.96
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.67
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.7
IC50 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | EC50 | 7.7 | 7.4 | 20.0 | 2 |
| Estrogen receptor CHEMBL206 | IC50 | 7.11 | 6.89 | 77.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 20.0 | nM | 7.7 | Agonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cel... | 30940565 |
| Estrogen receptor | IC50 | = | 77.0 | nM | 7.11 | Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET a... | 30940565 |
| Estrogen receptor | EC50 | = | 80.0 | nM | 7.1 | Selective estrogen receptor down-regulator activity at FLAG-tagged ERalpha (unkn... | 30940565 |
| Estrogen receptor | IC50 | = | 213.0 | nM | 6.67 | Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 ... | 30940565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30940565 | 10.1016/j.bmc.2019.03.042 | Estrogen receptor | 5 |
Data from ChEMBL 36 via Core Engine