Compound Detail
CHEMBL369317
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Basic Information
| ChEMBL ID | CHEMBL369317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODABXNMRQKCARG-GOSISDBHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
1.91
ALogP
6
HBA
3
HBD
122.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 6.03 | 6.03 | 935.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 5.34 | 5.34 | 4517.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 935.0 | nM | 6.03 | Inhibition of human matrix metalloprotease-2 | 15713379 |
| Matrix metalloproteinase-9 | IC50 | = | 4517.0 | nM | 5.34 | Inhibition of human matrix metalloprotease-9 | 15713379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713379 | 10.1016/j.bmcl.2005.01.024 | 72 kDa type IV collagenase | 1 |
| 15713379 | 10.1016/j.bmcl.2005.01.024 | Matrix metalloproteinase-9 | 1 |
| 15713379 | 10.1016/j.bmcl.2005.01.024 | Matrix metalloproteinase-14 | 1 |
Data from ChEMBL 36 via Core Engine