Compound Detail
CHEMBL16933
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Basic Information
| ChEMBL ID | CHEMBL16933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPVUAASKZWLIQS-DGCLKSJQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
330.5
MW (Da)
1.81
ALogP
4
HBA
3
HBD
75.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of matrix metalloprotease-9, gelatinase-B | 9871728 |
| Interstitial collagenase | IC50 | = | 11.0 | nM | 7.96 | Inhibition of matrix metalloprotease-1, Collagenase-1 | 9871728 |
| Stromelysin-1 | IC50 | = | 480.0 | nM | 6.32 | 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