Compound Detail
CHEMBL3648370
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Basic Information
| ChEMBL ID | CHEMBL3648370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOQPQWWGESZFBH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
364.8
MW (Da)
4.88
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 6.92 | 6.92 | 120.0 | 2 |
| Estrogen receptor beta CHEMBL242 | IC50 | 6.6 | 6.6 | 250.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 120.0 | nM | 6.92 | Binding Assay: The binding affinity and selectivity of candidate molecules yield... | - |
| Estrogen receptor | IC50 | = | 120.0 | nM | 6.92 | Binding Assay: The binding affinity and selectivity of candidate molecules yield... | - |
| Estrogen receptor beta | IC50 | = | 250.0 | nM | 6.6 | Binding Assay: The binding affinity and selectivity of candidate molecules yield... | - |
| Estrogen receptor beta | IC50 | = | 250.0 | nM | 6.6 | Binding Assay: The binding affinity and selectivity of candidate molecules yield... | - |
Data from ChEMBL 36 via Core Engine