Compound Detail
CHEMBL1473456
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Basic Information
| ChEMBL ID | CHEMBL1473456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGQMTVBAAFUVDO-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
4.98
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NADPH oxidase 1 CHEMBL1287628 | IC50 | 6.64 | 5.894 | 230.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NADPH oxidase 1 | IC50 | = | 230.0 | nM | 6.64 | PUBCHEM_BIOASSAY: Luminescence-based cell-based dose response assay to identify ... | - |
| NADPH oxidase 1 | IC50 | = | 1300.0 | nM | 5.89 | PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identi... | - |
| NADPH oxidase 1 | IC50 | = | 2000.0 | nM | 5.7 | PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identi... | - |
| NADPH oxidase 1 | IC50 | = | 2370.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identi... | - |
| NADPH oxidase 1 | IC50 | = | 2370.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identi... | - |
Data from ChEMBL 36 via Core Engine