Compound Detail
CHEMBL3585765
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Basic Information
| ChEMBL ID | CHEMBL3585765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKRNXLAHYIGGFO-MRXNPFEDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
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 2 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 8.19 | 8.19 | 6.4 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 7.91 | 7.91 | 12.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 6.4 | nM | 8.19 | Inhibition of human active MMP2 using (7-methoxycoumarin-4-yl) acetyl pro-Leu-Gl... | 25921268 |
| Matrix metalloproteinase-9 | IC50 | = | 12.3 | nM | 7.91 | Inhibition of human active MMP9 using (7-methoxycoumarin-4-yl) acetyl pro-Leu-Gl... | 25921268 |
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 |
Data from ChEMBL 36 via Core Engine