Compound Detail
CHEMBL3585766
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Basic Information
| ChEMBL ID | CHEMBL3585766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKRNXLAHYIGGFO-INIZCTEOSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
1.51
ALogP
6
HBA
2
HBD
108.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 8.52 | 8.52 | 3.0 | 3 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 7.48 | 7.48 | 32.8 | 3 |
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 | Inhibition of human active MMP9 using (7-methoxycoumarin-4-yl) acetyl pro-Leu-Gl... | 25921268 |
| Matrix metalloproteinase-9 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of MMP-9 (unknown origin) | 33656892 |
| Matrix metalloproteinase-9 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of MMP-9 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu... | 32224379 |
| 72 kDa type IV collagenase | IC50 | = | 32.8 | nM | 7.48 | Inhibition of human active MMP2 using (7-methoxycoumarin-4-yl) acetyl pro-Leu-Gl... | 25921268 |
| 72 kDa type IV collagenase | IC50 | = | 32.8 | nM | 7.48 | Inhibition of MMP-2 (unknown origin) | 33656892 |
| 72 kDa type IV collagenase | IC50 | = | 32.8 | nM | 7.48 | Inhibition of MMP-2 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu... | 32224379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25921268 | 10.1016/j.bmc.2015.03.078 | 72 kDa type IV collagenase | 1 |
| 25921268 | 10.1016/j.bmc.2015.03.078 | Matrix metalloproteinase-9 | 1 |
| 25921268 | 10.1016/j.bmc.2015.03.078 | MMP-2/MMP-9 | 1 |
| 33656892 | 10.1021/acs.jmedchem.0c01640 | 72 kDa type IV collagenase | 1 |
| 33656892 | 10.1021/acs.jmedchem.0c01640 | Matrix metalloproteinase-9 | 1 |
| 32224379 | 10.1016/j.ejmech.2020.112260 | Matrix metalloproteinase-9 | 1 |
| 32224379 | 10.1016/j.ejmech.2020.112260 | 72 kDa type IV collagenase | 1 |
Data from ChEMBL 36 via Core Engine