Compound Detail
CHEMBL441558
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL441558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVVMEVSFLBMIMJ-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
5.12
ALogP
3
HBA
2
HBD
58.1
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NADPH oxidase 1 CHEMBL1287628 | IC50 | 8.0 | 6.172 | 10.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NADPH oxidase 1 | IC50 | = | 10.0 | nM | 8.0 | PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identi... | - |
| NADPH oxidase 1 | IC50 | = | 370.0 | nM | 6.43 | PUBCHEM_BIOASSAY: Luminescence-based cell-based dose response assay to identify ... | - |
| NADPH oxidase 1 | IC50 | = | 1810.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identi... | - |
| NADPH oxidase 1 | IC50 | = | 1810.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identi... | - |
| NADPH oxidase 1 | IC50 | = | 11200.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17079151 | 10.1016/j.bmc.2006.10.025 | Mus musculus | 10 |
| 17079151 | 10.1016/j.bmc.2006.10.025 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine