Compound Detail
CHEMBL172181
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Basic Information
| ChEMBL ID | CHEMBL172181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDDQQIMYYBMNMU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
328.3
MW (Da)
1.52
ALogP
5
HBA
2
HBD
88.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | Ki | 6.5 | 6.5 | 316.0 | 1 |
| Stromelysin-1 CHEMBL283 | Ki | 6.28 | 6.28 | 527.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | Ki | = | 316.0 | nM | 6.5 | Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B). | 11831904 |
| Stromelysin-1 | Ki | = | 527.0 | nM | 6.28 | Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1). | 11831904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11831904 | 10.1021/jm0103211 | Interstitial collagenase | 1 |
| 11831904 | 10.1021/jm0103211 | Stromelysin-1 | 1 |
| 11831904 | 10.1021/jm0103211 | Matrix metalloproteinase-9 | 1 |
| 11831904 | 10.1021/jm0103211 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 11831904 | 10.1021/jm0103211 | Disintegrin and metalloproteinase domain-containing protein 9 | 1 |
Data from ChEMBL 36 via Core Engine