Compound Detail
CHEMBL1795351
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Basic Information
| ChEMBL ID | CHEMBL1795351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZKJTNXYLZWHHJ-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
2.27
ALogP
5
HBA
3
HBD
95.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Matrix metalloproteinase-25 CHEMBL1795103 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
| Neutrophil collagenase CHEMBL4588 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 1.5 | nM | 8.82 | Inhibition of human MMP2 by fluorometric assay | 21514700 |
| Matrix metalloproteinase-25 | IC50 | = | 34.0 | nM | 7.47 | Inhibition of human MMP25 by fluorometric assay | 21514700 |
| Stromelysin-1 | IC50 | = | 46.0 | nM | 7.34 | Inhibition of human MMP3 by fluorometric assay | 21514700 |
| Matrix metalloproteinase-9 | IC50 | = | 79.0 | nM | 7.1 | Inhibition of human MMP9 by fluorometric assay | 21514700 |
| Neutrophil collagenase | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human MMP8 by fluorometric assay | 21514700 |
| Matrix metalloproteinase-14 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of human MMP14 by fluorometric assay | 21514700 |
| Interstitial collagenase | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of human MMP1 by fluorometric assay | 21514700 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21514700 | 10.1016/j.ejmech.2011.03.033 | NON-PROTEIN TARGET | 2 |
| 21514700 | 10.1016/j.ejmech.2011.03.033 | Interstitial collagenase | 1 |
| 21514700 | 10.1016/j.ejmech.2011.03.033 | 72 kDa type IV collagenase | 1 |
| 21514700 | 10.1016/j.ejmech.2011.03.033 | Stromelysin-1 | 1 |
| 21514700 | 10.1016/j.ejmech.2011.03.033 | Neutrophil collagenase | 1 |
| 21514700 | 10.1016/j.ejmech.2011.03.033 | Matrix metalloproteinase-9 | 1 |
| 21514700 | 10.1016/j.ejmech.2011.03.033 | Matrix metalloproteinase-14 | 1 |
| 21514700 | 10.1016/j.ejmech.2011.03.033 | Matrix metalloproteinase-25 | 1 |
Data from ChEMBL 36 via Core Engine