Compound Detail
CHEMBL16650
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Basic Information
| ChEMBL ID | CHEMBL16650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNKICJSNJYXQOE-BZUAXINKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
374.6
MW (Da)
2.92
ALogP
4
HBA
4
HBD
78.4
PSA (Ų)
0.31
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of matrix metalloprotease-9, gelatinase-B | 9871728 |
| Interstitial collagenase | IC50 | = | 140.0 | nM | 6.85 | Inhibition of matrix metalloprotease-1, Collagenase-1 | 9871728 |
| Stromelysin-1 | IC50 | = | 430.0 | nM | 6.37 | Inhibition of matrix metalloprotease-3, stromelysin-1 | 9871728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871728 | 10.1016/s0960-894x(98)00186-3 | Interstitial collagenase | 1 |
| 9871728 | 10.1016/s0960-894x(98)00186-3 | Stromelysin-1 | 1 |
| 9871728 | 10.1016/s0960-894x(98)00186-3 | Matrix metalloproteinase-9 | 1 |
Data from ChEMBL 36 via Core Engine