Compound Detail
CHEMBL501715
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Basic Information
| ChEMBL ID | CHEMBL501715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMPMGGGCHRCWIU-KBPBESRZSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
0.56
ALogP
4
HBA
5
HBD
119.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
| Neutrophil collagenase CHEMBL4588 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of human recombinant MMP9 | 17719700 |
| 72 kDa type IV collagenase | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of human recombinant MMP2 | 17719700 |
| Neutrophil collagenase | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of human recombinant MMP8 | 17719700 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17719700 | 10.1016/j.ejmech.2007.07.002 | Interstitial collagenase | 1 |
| 17719700 | 10.1016/j.ejmech.2007.07.002 | 72 kDa type IV collagenase | 1 |
| 17719700 | 10.1016/j.ejmech.2007.07.002 | Stromelysin-1 | 1 |
| 17719700 | 10.1016/j.ejmech.2007.07.002 | Matrilysin | 1 |
| 17719700 | 10.1016/j.ejmech.2007.07.002 | Neutrophil collagenase | 1 |
| 17719700 | 10.1016/j.ejmech.2007.07.002 | Matrix metalloproteinase-9 | 1 |
Data from ChEMBL 36 via Core Engine