Compound Detail
CHEMBL85933
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Basic Information
| ChEMBL ID | CHEMBL85933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBDGYUOAVSOSOD-KGLIPLIRSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
0.23
ALogP
5
HBA
5
HBD
144.8
PSA (Ų)
0.27
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil collagenase CHEMBL4588 | Ki | 6.57 | 6.57 | 270.0 | 2 |
| Interstitial collagenase CHEMBL332 | Ki | 5.47 | 5.47 | 3350.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil collagenase | Ki | = | 270.0 | nM | 6.57 | Inhibition of human neutrophil collagenase (HNC), MMP-8 | 7629797 |
| Neutrophil collagenase | Ki | = | 270.0 | nM | 6.57 | Inhibition of human neutrophil collagenase, matrix metalloprotease-8 | - |
| Interstitial collagenase | Ki | = | 3350.0 | nM | 5.47 | Inhibitory potency against human fibroblast collagenase, MMP-1 | 7629797 |
| Interstitial collagenase | Ki | = | 3350.0 | nM | 5.47 | Inhibition of human fibroblast collagenase, matrix metalloprotease-1 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7629797 | 10.1021/jm00014a010 | Interstitial collagenase | 1 |
| 7629797 | 10.1021/jm00014a010 | Stromelysin-1 | 1 |
| 7629797 | 10.1021/jm00014a010 | Neutrophil collagenase | 1 |
| - | 10.1016/0960-894X(95)00032-O | Interstitial collagenase | 1 |
| - | 10.1016/0960-894X(95)00032-O | Stromelysin-1 | 1 |
| - | 10.1016/0960-894X(95)00032-O | Neutrophil collagenase | 1 |
Data from ChEMBL 36 via Core Engine