Compound Detail
CHEMBL1581750
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Basic Information
| ChEMBL ID | CHEMBL1581750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCLFLJSSFWROMF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
3.92
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 5.81 | 5.81 | 1562.5 | 1 |
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 5.11 | 5.11 | 7739.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 1562.5 | nM | 5.81 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Res... | - |
| Protein-tyrosine kinase 2-beta | IC50 | = | 7739.0 | nM | 5.11 | PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... | - |
Data from ChEMBL 36 via Core Engine