Compound Detail
CHEMBL355752
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Basic Information
| ChEMBL ID | CHEMBL355752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPPXSZZXGYMBHW-QKFKETGDSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
332.3
MW (Da)
2.62
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 7.49 | 7.49 | 32.5 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 7.17 | 7.17 | 67.9 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Matrilysin CHEMBL4073 | IC50 | 5.73 | 5.73 | 1860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | IC50 | = | 32.5 | nM | 7.49 | Inhibition of human matrix metalloprotease 9 | 9888835 |
| Stromelysin-1 | IC50 | = | 67.9 | nM | 7.17 | Inhibition of human matrix metalloprotease-3 | 9888835 |
| Interstitial collagenase | IC50 | = | 120.0 | nM | 6.92 | Inhibition of human matrix metalloprotease 1 | 9888835 |
| Matrilysin | IC50 | = | 1860.0 | nM | 5.73 | Inhibition of human matrix metalloprotease 7 | 9888835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9888835 | 10.1021/jm980142s | Interstitial collagenase | 1 |
| 9888835 | 10.1021/jm980142s | Stromelysin-1 | 1 |
| 9888835 | 10.1021/jm980142s | Matrilysin | 1 |
| 9888835 | 10.1021/jm980142s | Matrix metalloproteinase-9 | 1 |
| 9888835 | 10.1021/jm980142s | 72 kDa type IV collagenase | 1 |
| 9888835 | 10.1021/jm980142s | Neutrophil collagenase | 1 |
| 9888835 | 10.1021/jm980142s | Collagenase 3 | 1 |
Data from ChEMBL 36 via Core Engine