Compound Detail
CHEMBL1448466
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Basic Information
| ChEMBL ID | CHEMBL1448466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKFRHMZABSZTGD-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
2.98
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.26
EC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.26 | 5.26 | 5502.8 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.1 | 5.1 | 7939.0 | 1 |
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | IC50 | 4.66 | 4.66 | 21700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 4000.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Estrogen receptor beta | IC50 | = | 5502.76 | nM | 5.26 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Res... | - |
| Estrogen receptor | IC50 | = | 7938.99 | nM | 5.1 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
| Nuclear receptor subfamily 4immunitygroup A member 1 | IC50 | = | 21700.0 | nM | 4.66 | PUBCHEM_BIOASSAY: High Throughput Fluorescence Polarization Screen for Bcl-B Phe... | - |
Data from ChEMBL 36 via Core Engine