Compound Detail
CHEMBL1570659
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Basic Information
| ChEMBL ID | CHEMBL1570659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAFWMUGYCDOMKF-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
1.70
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.39
EC50 2 meas. best 4.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 7.39 | 7.39 | 40.7 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.56 | 5.56 | 2780.8 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 4.8 | 4.8 | 15883.3 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.67 | 4.67 | 21281.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.34 | 4.34 | 45139.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 40.69 | nM | 7.39 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 2780.77 | nM | 5.56 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Estrogen receptor | IC50 | = | 15883.27 | nM | 4.8 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
| Zinc finger protein mex-5 | EC50 | = | 21281.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 45139.0 | nM | 4.34 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine