Compound Detail
CHEMBL69194
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Basic Information
| ChEMBL ID | CHEMBL69194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGUQAEXNOBFCNK-KBPBESRZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
1.65
ALogP
3
HBA
2
HBD
49.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interstitial collagenase CHEMBL332 | IC50 | 6.5 | 6.5 | 319.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 5.63 | 5.63 | 2365.0 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interstitial collagenase | IC50 | = | 319.0 | nM | 6.5 | Inhibition of Matrix Metalloprotease-1 | 9632351 |
| Matrix metalloproteinase-9 | IC50 | = | 2365.0 | nM | 5.63 | Inhibition of Matrix Metalloprotease-9 | 9632351 |
| Stromelysin-1 | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of Matrix Metalloprotease-3 | 9632351 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9632351 | 10.1021/jm980133j | Interstitial collagenase | 1 |
| 9632351 | 10.1021/jm980133j | Stromelysin-1 | 1 |
| 9632351 | 10.1021/jm980133j | Matrix metalloproteinase-9 | 1 |
Data from ChEMBL 36 via Core Engine