Compound Detail
CHEMBL285546
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL285546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYBCZOFEUHHWME-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
590.4
MW (Da)
3.76
ALogP
7
HBA
2
HBD
121.7
PSA (Ų)
0.19
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase 3 CHEMBL280 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 7.12 | 7.12 | 75.0 | 2 |
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 6.91 | 6.91 | 124.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | IC50 | = | 3.0 | nM | 8.52 | Inhibitory activity against matrix metalloprotease 9 (MMP-9). | 12668018 |
| Collagenase 3 | IC50 | = | 3.0 | nM | 8.52 | Inhibitory activity against matrix metalloprotease 13 (MMP-13). | 12668018 |
| Interstitial collagenase | IC50 | = | 75.0 | nM | 7.12 | Inhibitory activity against matrix metalloprotease 1 (MMP-1). | 12668018 |
| Interstitial collagenase | IC50 | = | 75.86 | nM | 7.12 | Inhibition of MMP1 | 17275314 |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 124.0 | nM | 6.91 | Inhibitory activity against TACE. | 12668018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12668018 | 10.1016/s0960-894x(03)00127-6 | Interstitial collagenase | 1 |
| 12668018 | 10.1016/s0960-894x(03)00127-6 | Matrix metalloproteinase-9 | 1 |
| 12668018 | 10.1016/s0960-894x(03)00127-6 | Collagenase 3 | 1 |
| 12668018 | 10.1016/s0960-894x(03)00127-6 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 17275314 | 10.1016/j.bmc.2007.01.011 | Interstitial collagenase | 1 |
Data from ChEMBL 36 via Core Engine