Compound Detail
CHEMBL1302802
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Basic Information
| ChEMBL ID | CHEMBL1302802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKLHRLXSXUKYMP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
2.92
ALogP
8
HBA
2
HBD
106.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 7.5 | 6.185 | 31.7 | 2 |
| Estrogen receptor CHEMBL206 | IC50 | 5.0 | 5.0 | 10088.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 31.7 | nM | 7.5 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Estrogen receptor | IC50 | = | 10088.75 | nM | 5.0 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
| Estrogen receptor beta | IC50 | = | 13607.75 | nM | 4.87 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Res... | - |
Data from ChEMBL 36 via Core Engine