Compound Detail
CHEMBL26913
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Basic Information
| ChEMBL ID | CHEMBL26913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHYKWSMPVGVBAN-STQMWFEESA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
1.17
ALogP
5
HBA
2
HBD
92.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interstitial collagenase CHEMBL332 | IC50 | 7.19 | 7.19 | 65.0 | 2 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 5.54 | 5.54 | 2900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interstitial collagenase | IC50 | = | 65.0 | nM | 7.19 | Inhibitory activity against Matrix metalloprotease-1 | 10212120 |
| Interstitial collagenase | IC50 | = | 65.0 | nM | 7.19 | Inhibition of MMP1 | 18790648 |
| Matrix metalloproteinase-9 | IC50 | = | 2900.0 | nM | 5.54 | Inhibitory activity against Matrix metalloprotease-9 | 10212120 |
| Matrix metalloproteinase-9 | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of MMP9 | 18790648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10212120 | 10.1021/jm980475p | Interstitial collagenase | 1 |
| 10212120 | 10.1021/jm980475p | Matrix metalloproteinase-9 | 1 |
| 10212120 | 10.1021/jm980475p | Unchecked | 1 |
| 18790648 | 10.1016/j.bmc.2008.08.058 | Matrix metalloproteinase-9 | 1 |
| 18790648 | 10.1016/j.bmc.2008.08.058 | Stromelysin-1 | 1 |
| 18790648 | 10.1016/j.bmc.2008.08.058 | Interstitial collagenase | 1 |
Data from ChEMBL 36 via Core Engine