Compound Detail
CHEMBL356124
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Basic Information
| ChEMBL ID | CHEMBL356124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJOQXNGTEXFLLO-UHFFFAOYSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
1.19
ALogP
6
HBA
3
HBD
116.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-15 CHEMBL2963 | IC50 | 6.21 | 6.21 | 621.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 6.14 | 6.14 | 724.0 | 1 |
| Matrix metalloproteinase-16 CHEMBL2200 | IC50 | 5.78 | 5.78 | 1677.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 5.51 | 5.51 | 3108.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Matrix metalloproteinase-26 CHEMBL4707 | IC50 | 5.12 | 5.12 | 7508.0 | 1 |
| Macrophage metalloelastase CHEMBL4393 | IC50 | 5.11 | 5.11 | 7689.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 4.82 | 4.82 | 15020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-15 | IC50 | = | 621.0 | nM | 6.21 | Inhibition of matrix metalloprotease-15 (MMP-15) | 14684295 |
| 72 kDa type IV collagenase | IC50 | = | 724.0 | nM | 6.14 | Inhibition of matrix metalloprotease-2 (MMP-2) | 14684295 |
| Matrix metalloproteinase-16 | IC50 | = | 1677.0 | nM | 5.78 | Inhibition of matrix metalloprotease-16 (MMP-16) | 14684295 |
| Matrix metalloproteinase-14 | IC50 | = | 3108.0 | nM | 5.51 | Inhibition of matrix metalloprotease-14 (MMP-14) | 14684295 |
| Matrix metalloproteinase-9 | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of matrix metalloprotease-9 (MMP-9) | 14684295 |
| Matrix metalloproteinase-26 | IC50 | = | 7508.0 | nM | 5.12 | Inhibition of matrix metalloprotease-26 (MMP-26) | 14684295 |
| Macrophage metalloelastase | IC50 | = | 7689.0 | nM | 5.11 | Inhibition of matrix metalloprotease-12 (MMP-12) | 14684295 |
| Interstitial collagenase | IC50 | = | 15020.0 | nM | 4.82 | 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