Compound Detail
CHEMBL5281328
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 | CHEMBL5281328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZKOBLHHRSTMHO-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
2.67
ALogP
5
HBA
3
HBD
105.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.4
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | Ki | 7.03 | 6.585 | 93.0 | 2 |
| Neutrophil collagenase CHEMBL4588 | Ki | 7.03 | 6.585 | 93.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 21.0 | nM | 7.68 | Inhibition of MMP2 (unknown origin) | 33279289 |
| Matrix metalloproteinase-14 | Ki | = | 40.0 | nM | 7.4 | Inhibition of MMP14 (unknown origin) assessed as inhibition constant | 33279289 |
| Matrix metalloproteinase-9 | Ki | = | 93.0 | nM | 7.03 | Inhibition of MMP9 (unknown origin) assessed as inhibition constant | 33279289 |
| Neutrophil collagenase | Ki | = | 93.0 | nM | 7.03 | Enzyme Inhibition Assay: Human recombinant active MMP-2 and MMP-7, and the catal... | - |
| Neutrophil collagenase | Ki | = | 730.0 | nM | 6.14 | Inhibition of MMP8 (unknown origin) assessed as inhibition constant | 33279289 |
| Matrix metalloproteinase-9 | Ki | = | 730.0 | nM | 6.14 | Enzyme Inhibition Assay: Human recombinant active MMP-2 and MMP-7, and the catal... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33279289 | 10.1016/j.ejmech.2020.113044 | 72 kDa type IV collagenase | 1 |
| 33279289 | 10.1016/j.ejmech.2020.113044 | Matrix metalloproteinase-9 | 1 |
| 33279289 | 10.1016/j.ejmech.2020.113044 | Matrix metalloproteinase-14 | 1 |
| 33279289 | 10.1016/j.ejmech.2020.113044 | Neutrophil collagenase | 1 |
Data from ChEMBL 36 via Core Engine