Compound Detail
CHEMBL1381306
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Basic Information
| ChEMBL ID | CHEMBL1381306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMNTXJXHDJBQAI-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
3.59
ALogP
5
HBA
0
HBD
69.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 5.28 | 5.06 | 5308.8 | 2 |
| Estrogen receptor CHEMBL206 | IC50 | 4.93 | 4.93 | 11679.9 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 4.67 | 4.67 | 21600.0 | 1 |
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | IC50 | 4.5 | 4.5 | 31827.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 5308.76 | nM | 5.28 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Res... | - |
| Estrogen receptor | IC50 | = | 11679.9 | nM | 4.93 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
| Estrogen receptor beta | IC50 | = | 14319.64 | nM | 4.84 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 21600.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deam... | - |
| Nuclear receptor subfamily 4immunitygroup A member 1 | IC50 | = | 31827.0 | nM | 4.5 | PUBCHEM_BIOASSAY: High Throughput Fluorescence Polarization Screen for Bcl-B Phe... | - |
Data from ChEMBL 36 via Core Engine