Compound Detail
CHEMBL250905
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Basic Information
| ChEMBL ID | CHEMBL250905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBVWAXQRTCTDDH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
0.74
ALogP
6
HBA
3
HBD
104.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 5.99 | 5.99 | 1020.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 5.59 | 5.59 | 2570.0 | 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 | = | 62.0 | nM | 7.21 | Inhibition of TACE by FRET assay | 17531482 |
| Matrix metalloproteinase-14 | IC50 | = | 1020.0 | nM | 5.99 | Inhibition of MMP14 | 17531482 |
| 72 kDa type IV collagenase | IC50 | = | 2570.0 | nM | 5.59 | Inhibition of MMP2 | 17531482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17531482 | 10.1016/j.bmcl.2007.05.022 | Matrix metalloproteinase-14 | 1 |
| 17531482 | 10.1016/j.bmcl.2007.05.022 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 17531482 | 10.1016/j.bmcl.2007.05.022 | 72 kDa type IV collagenase | 1 |
| 17531482 | 10.1016/j.bmcl.2007.05.022 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine