Compound Detail
CHEMBL148406
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 | CHEMBL148406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVZFBVIPGIVQRI-UHFFFAOYSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
0.77
ALogP
6
HBA
4
HBD
133.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Macrophage metalloelastase CHEMBL4393 | IC50 | 6.72 | 6.72 | 191.0 | 1 |
| Matrix metalloproteinase-16 CHEMBL2200 | IC50 | 6.7 | 6.7 | 202.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 6.61 | 6.61 | 248.0 | 1 |
| Matrix metalloproteinase-15 CHEMBL2963 | IC50 | 6.42 | 6.42 | 385.0 | 1 |
| Matrix metalloproteinase-26 CHEMBL4707 | IC50 | 6.31 | 6.31 | 492.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 6.08 | 6.08 | 835.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 4.88 | 4.88 | 13190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 150.0 | nM | 6.82 | Inhibition of matrix metalloprotease-2 (MMP-2) | 14684295 |
| Macrophage metalloelastase | IC50 | = | 191.0 | nM | 6.72 | Inhibition of matrix metalloprotease-12 (MMP-12) | 14684295 |
| Matrix metalloproteinase-16 | IC50 | = | 202.0 | nM | 6.7 | Inhibition of matrix metalloprotease-16 (MMP-16) | 14684295 |
| Matrix metalloproteinase-9 | IC50 | = | 248.0 | nM | 6.61 | Inhibition of matrix metalloprotease-9 (MMP-9) | 14684295 |
| Matrix metalloproteinase-15 | IC50 | = | 385.0 | nM | 6.42 | Inhibition of matrix metalloprotease-15 (MMP-15) | 14684295 |
| Matrix metalloproteinase-26 | IC50 | = | 492.0 | nM | 6.31 | Inhibition of matrix metalloprotease-26 (MMP-26) | 14684295 |
| Matrix metalloproteinase-14 | IC50 | = | 835.0 | nM | 6.08 | Inhibition of matrix metalloprotease-14 (MMP-14) | 14684295 |
| Interstitial collagenase | IC50 | = | 13190.0 | nM | 4.88 | Inhibition of matrix metalloprotease-1 (MMP-1) | 14684295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14684295 | 10.1016/j.bmcl.2003.10.026 | Interstitial collagenase | 1 |
| 14684295 | 10.1016/j.bmcl.2003.10.026 | 72 kDa type IV collagenase | 1 |
| 14684295 | 10.1016/j.bmcl.2003.10.026 | Matrilysin | 1 |
| 14684295 | 10.1016/j.bmcl.2003.10.026 | Matrix metalloproteinase-9 | 1 |
| 14684295 | 10.1016/j.bmcl.2003.10.026 | Macrophage metalloelastase | 1 |
| 14684295 | 10.1016/j.bmcl.2003.10.026 | Matrix metalloproteinase-14 | 1 |
| 14684295 | 10.1016/j.bmcl.2003.10.026 | Matrix metalloproteinase-15 | 1 |
| 14684295 | 10.1016/j.bmcl.2003.10.026 | Matrix metalloproteinase-16 | 1 |
| 14684295 | 10.1016/j.bmcl.2003.10.026 | Matrix metalloproteinase-26 | 1 |
Data from ChEMBL 36 via Core Engine