Compound Detail
CHEMBL1394104
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Basic Information
| ChEMBL ID | CHEMBL1394104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOYFYLLESAKYJH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
4.12
ALogP
3
HBA
2
HBD
44.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NADPH oxidase 1 CHEMBL1287628 | IC50 | 7.11 | 6.515 | 77.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NADPH oxidase 1 | IC50 | = | 77.66 | nM | 7.11 | PUBCHEM_BIOASSAY: Late-stage luminescence-based cell-based dose response assay t... | - |
| NADPH oxidase 1 | IC50 | = | 1200.0 | nM | 5.92 | PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identi... | - |
Data from ChEMBL 36 via Core Engine