Compound Detail
CHEMBL279964
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Basic Information
| ChEMBL ID | CHEMBL279964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTBJTISRJIZWKE-HIFRSBDPSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
1.15
ALogP
4
HBA
4
HBD
107.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stromelysin-1 CHEMBL283 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 7.71 | 7.71 | 19.3 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 7.37 | 7.37 | 42.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stromelysin-1 | IC50 | = | 4.4 | nM | 8.36 | Activity against Matrix metalloprotease-3 (MMP-3). | 9548812 |
| Matrix metalloproteinase-9 | IC50 | = | 14.0 | nM | 7.85 | Activity against Matrix metalloprotease-9 (MMP-9). | 9548812 |
| Interstitial collagenase | IC50 | = | 15.0 | nM | 7.82 | Activity against Matrix metalloprotease-1 (MMP-1). | 9548812 |
| Matrix metalloproteinase-14 | IC50 | = | 19.3 | nM | 7.71 | Activity against deletion mutant of MT1-MMP lacking the transmembrane domain (de... | 9548812 |
| 72 kDa type IV collagenase | IC50 | = | 42.5 | nM | 7.37 | Activity against Matrix metalloprotease-2 (MMP-2). | 9548812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9548812 | 10.1021/jm970404a | Matrix metalloproteinase-14 | 1 |
| 9548812 | 10.1021/jm970404a | Interstitial collagenase | 1 |
| 9548812 | 10.1021/jm970404a | 72 kDa type IV collagenase | 1 |
| 9548812 | 10.1021/jm970404a | Stromelysin-1 | 1 |
| 9548812 | 10.1021/jm970404a | Matrix metalloproteinase-9 | 1 |
Data from ChEMBL 36 via Core Engine