Compound Detail
CHEMBL237149
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Basic Information
| ChEMBL ID | CHEMBL237149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABCUGGKORKLYBH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
4.09
ALogP
5
HBA
1
HBD
53.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
| Macrophage metalloelastase CHEMBL4393 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 870.0 | nM | 6.06 | Inhibition of ADAMTS5 by FRET assay | 17804234 |
| Macrophage metalloelastase | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of MMP12 | 17804234 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17804234 | 10.1016/j.bmcl.2007.07.048 | A disintegrin and metalloproteinase with thrombospondin motifs 5 | 1 |
| 17804234 | 10.1016/j.bmcl.2007.07.048 | A disintegrin and metalloproteinase with thrombospondin motifs 4 | 1 |
| 17804234 | 10.1016/j.bmcl.2007.07.048 | Collagenase 3 | 1 |
| 17804234 | 10.1016/j.bmcl.2007.07.048 | Macrophage metalloelastase | 1 |
Data from ChEMBL 36 via Core Engine