Compound Detail
CHEMBL484261
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Basic Information
| ChEMBL ID | CHEMBL484261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMOSDDURWLNMNG-GXFFZTMASA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
-0.38
ALogP
6
HBA
4
HBD
125.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Neutrophil collagenase CHEMBL4588 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 7.02 | 7.02 | 96.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 6.24 | 6.24 | 582.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 6.11 | 6.11 | 777.0 | 1 |
| Matrilysin CHEMBL4073 | IC50 | 6.02 | 6.02 | 961.0 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 10 CHEMBL5028 | IC50 | 5.96 | 5.96 | 1090.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 5.61 | 5.61 | 2471.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of TACE | 18790648 |
| Neutrophil collagenase | IC50 | = | 35.0 | nM | 7.46 | Inhibition of MMP8 | 18790648 |
| Collagenase 3 | IC50 | = | 96.0 | nM | 7.02 | Inhibition of MMP13 | 18790648 |
| Matrix metalloproteinase-14 | IC50 | = | 582.0 | nM | 6.24 | Inhibition of MMP14 | 18790648 |
| Matrix metalloproteinase-9 | IC50 | = | 777.0 | nM | 6.11 | Inhibition of MMP9 | 18790648 |
| Matrilysin | IC50 | = | 961.0 | nM | 6.02 | Inhibition of MMP7 | 18790648 |
| Disintegrin and metalloproteinase domain-containing protein 10 | IC50 | = | 1090.0 | nM | 5.96 | Inhibition of ADAM10 | 18790648 |
| Interstitial collagenase | IC50 | = | 2471.0 | nM | 5.61 | Inhibition of MMP1 | 18790648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18790648 | 10.1016/j.bmc.2008.08.058 | Disintegrin and metalloproteinase domain-containing protein 10 | 1 |
| 18790648 | 10.1016/j.bmc.2008.08.058 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 18790648 | 10.1016/j.bmc.2008.08.058 | Matrix metalloproteinase-14 | 1 |
| 18790648 | 10.1016/j.bmc.2008.08.058 | Matrix metalloproteinase-9 | 1 |
| 18790648 | 10.1016/j.bmc.2008.08.058 | Matrilysin | 1 |
| 18790648 | 10.1016/j.bmc.2008.08.058 | Collagenase 3 | 1 |
| 18790648 | 10.1016/j.bmc.2008.08.058 | Neutrophil collagenase | 1 |
| 18790648 | 10.1016/j.bmc.2008.08.058 | Interstitial collagenase | 1 |
Data from ChEMBL 36 via Core Engine