Compound Detail
CHEMBL3198962
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Basic Information
| ChEMBL ID | CHEMBL3198962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRYZHBZAMKMHEZ-GXDHUFHOSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
214.3
MW (Da)
3.10
ALogP
3
HBA
0
HBD
28.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 7.32 | 6.025 | 48.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.45 | 5.445 | 3550.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 47.98 | nM | 7.32 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Unchecked | IC50 | = | 3550.0 | nM | 5.45 | PUBCHEM_BIOASSAY: HCS for Compounds that Down-Regulate Insulin Promoter Activity... | - |
| Unchecked | IC50 | = | 3610.0 | nM | 5.44 | PUBCHEM_BIOASSAY: HTS Counterscreen for Detection of Compound Cytotoxicity in MI... | - |
| Estrogen receptor beta | IC50 | = | 18535.98 | nM | 4.73 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Res... | - |
Data from ChEMBL 36 via Core Engine