Compound Detail
CHEMBL424407
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Basic Information
| ChEMBL ID | CHEMBL424407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXWURXRPEDVFGY-PMACEKPBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
2.76
ALogP
6
HBA
2
HBD
67.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | IC50 | = | 52.0 | nM | 7.28 | Inhibitory activity against Matrix metalloprotease-9 | 10212120 |
| Interstitial collagenase | IC50 | = | 310.0 | nM | 6.51 | Inhibitory activity against Matrix metalloprotease-1 | 10212120 |
| Unchecked | IC50 | = | 1100.0 | nM | 5.96 | Inhibitory activity against stromelysin. | 10212120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10212120 | 10.1021/jm980475p | Interstitial collagenase | 1 |
| 10212120 | 10.1021/jm980475p | Matrix metalloproteinase-9 | 1 |
| 10212120 | 10.1021/jm980475p | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine