Compound Detail
CHEMBL1597933
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Basic Information
| ChEMBL ID | CHEMBL1597933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBGCCJPSMROWRG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
353.3
MW (Da)
4.24
ALogP
5
HBA
1
HBD
56.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 7.07 | 7.07 | 85.7 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 4.55 | 4.55 | 28223.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 85.65 | nM | 7.07 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Estrogen receptor | IC50 | = | 28223.33 | nM | 4.55 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
Data from ChEMBL 36 via Core Engine