Compound Detail
CHEMBL117296
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Basic Information
| ChEMBL ID | CHEMBL117296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCDVAZDSWVFMGC-OAHLLOKOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
0.75
ALogP
5
HBA
4
HBD
116.8
PSA (Ų)
0.25
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil collagenase CHEMBL4588 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| Stromelysin-1 CHEMBL283 | Ki | 5.46 | 5.46 | 3500.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | Ki | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil collagenase | Ki | = | 170.0 | nM | 6.77 | Inhibition of human Matrix metalloprotease-8 | - |
| Stromelysin-1 | Ki | = | 3500.0 | nM | 5.46 | Inhibition of human fibroblast stromelysin, matrix metalloprotease-3 | - |
| Matrix metalloproteinase-9 | Ki | = | 5600.0 | nM | 5.25 | Inhibition of human Matrix metalloprotease-9 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00033-P | Matrix metalloproteinase-9 | 1 |
| - | 10.1016/0960-894X(95)00033-P | Neutrophil collagenase | 1 |
| - | 10.1016/0960-894X(95)00033-P | Interstitial collagenase | 1 |
| - | 10.1016/0960-894X(95)00033-P | Stromelysin-1 | 1 |
Data from ChEMBL 36 via Core Engine