Compound Detail
CHEMBL1476347
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Basic Information
| ChEMBL ID | CHEMBL1476347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWMHBSBGDXNSQU-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
4.17
ALogP
7
HBA
1
HBD
102.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.83
EC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 6.83 | 6.13 | 148.9 | 2 |
| Estrogen receptor CHEMBL206 | IC50 | 4.83 | 4.83 | 14973.7 | 1 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 148.93 | nM | 6.83 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Estrogen receptor beta | IC50 | = | 3694.96 | nM | 5.43 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Estrogen receptor | IC50 | = | 14973.67 | nM | 4.83 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
| Kappa-type opioid receptor | EC50 | = | 16000.0 | nM | 4.8 | PUBCHEM_BIOASSAY: uHTS identification of small molecule agonists of the kappa op... | - |
Data from ChEMBL 36 via Core Engine