Compound Detail
CHEMBL70561
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Basic Information
| ChEMBL ID | CHEMBL70561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLJMVHQJGGOMCU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
360.5
MW (Da)
4.78
ALogP
4
HBA
3
HBD
66.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL2214 | IC50 | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | IC50 | = | 56000.0 | nM | 4.25 | Inhibitory concentration was determined against murine gelatinase B | 12127537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12127537 | 10.1016/s0960-894x(02)00365-7 | Matrix metalloproteinase-9 | 1 |
Data from ChEMBL 36 via Core Engine