Compound Detail
CHEMBL1981243
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Basic Information
| ChEMBL ID | CHEMBL1981243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNUYOVOKTRHKTH-ZROIWOOFSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
1.38
ALogP
7
HBA
0
HBD
77.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 6.01 | 5.82 | 986.7 | 2 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.13 | 4.775 | 7360.0 | 2 |
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | IC50 | 4.83 | 4.83 | 14729.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 986.73 | nM | 6.01 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Estrogen receptor beta | IC50 | = | 2346.44 | nM | 5.63 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Res... | - |
| SUMO-activating enzyme | IC50 | = | 7360.0 | nM | 5.13 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| Nuclear receptor subfamily 4immunitygroup A member 1 | IC50 | = | 14729.0 | nM | 4.83 | PUBCHEM_BIOASSAY: High Throughput Fluorescence Polarization Screen for Bcl-B Phe... | - |
| SUMO-activating enzyme | IC50 | = | 38340.0 | nM | 4.42 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
Data from ChEMBL 36 via Core Engine