Compound Detail
CHEMBL481600
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Basic Information
| ChEMBL ID | CHEMBL481600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWIIDPQXPFILEL-GQCTYLIASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
2.91
ALogP
3
HBA
2
HBD
58.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | IC50 | = | 8000.0 | nM | 5.1 | Reduction of MMP9 activity in TNF-alpha/IL1-beta-stimulated human Caco-2 cells t... | 19128977 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19128977 | 10.1016/j.bmc.2008.12.029 | Matrix metalloproteinase-9 | 2 |
Data from ChEMBL 36 via Core Engine