Compound Detail
CHEMBL1449547
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Basic Information
| ChEMBL ID | CHEMBL1449547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQSGTBZOYSXJKP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
3.41
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NADPH oxidase 1 CHEMBL1287628 | IC50 | 6.81 | 6.59 | 156.0 | 2 |
| Estrogen receptor beta CHEMBL242 | IC50 | 4.84 | 4.84 | 14370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NADPH oxidase 1 | IC50 | = | 156.0 | nM | 6.81 | PUBCHEM_BIOASSAY: Luminescence-based cell-based dose response assay to identify ... | - |
| NADPH oxidase 1 | IC50 | = | 432.0 | nM | 6.37 | PUBCHEM_BIOASSAY: Late-stage luminescence-based cell-based dose response assay t... | - |
| Estrogen receptor beta | IC50 | = | 14369.99 | nM | 4.84 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
Data from ChEMBL 36 via Core Engine