Compound Detail
CHEMBL585376
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Basic Information
| ChEMBL ID | CHEMBL585376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZWDHUMJSSLVCR-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
2.16
ALogP
4
HBA
1
HBD
80.7
PSA (Ų)
0.92
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase 3 CHEMBL280 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.24 | 4.24 | 58000.0 | 1 |
| Neutrophil collagenase CHEMBL4588 | IC50 | 4.13 | 4.13 | 74000.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.11 | 4.11 | 77000.0 | 1 |
| Macrophage metalloelastase CHEMBL4393 | IC50 | 4.05 | 4.05 | 89000.0 | 1 |
| Matrix metalloproteinase-16 CHEMBL2200 | IC50 | 4.03 | 4.03 | 93000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Collagenase 3 | IC50 | = | 55000.0 | nM | 4.26 | Inhibition of para-aminophenylmercuric acetate-activated human pro-MMP13 after 4... | 19775099 |
| 72 kDa type IV collagenase | IC50 | = | 58000.0 | nM | 4.24 | Inhibition of para-aminophenylmercuric acetate-activated human recombinant pro-M... | 19775099 |
| Neutrophil collagenase | IC50 | = | 74000.0 | nM | 4.13 | Inhibition of para-aminophenylmercuric acetate-activated human pro-MMP8 after 4 ... | 19775099 |
| Matrix metalloproteinase-14 | IC50 | = | 77000.0 | nM | 4.11 | Inhibition of human recombinant pro-MMP14 catalytic domain after 4 hrs by fluori... | 19775099 |
| Macrophage metalloelastase | IC50 | = | 89000.0 | nM | 4.05 | Inhibition of autoactivated human pro-MMP12 after 4 hrs by fluorimetry | 19775099 |
| Matrix metalloproteinase-16 | IC50 | = | 93000.0 | nM | 4.03 | Inhibition of human recombinant pro-MMP16 catalytic domain after 4 hrs by fluori... | 19775099 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19775099 | 10.1021/jm900335a | Collagenase 3 | 1 |
| 19775099 | 10.1021/jm900335a | 72 kDa type IV collagenase | 1 |
| 19775099 | 10.1021/jm900335a | Neutrophil collagenase | 1 |
| 19775099 | 10.1021/jm900335a | Matrix metalloproteinase-14 | 1 |
| 19775099 | 10.1021/jm900335a | Macrophage metalloelastase | 1 |
| 19775099 | 10.1021/jm900335a | Matrix metalloproteinase-16 | 1 |
| 19775099 | 10.1021/jm900335a | Interstitial collagenase | 1 |
| 19775099 | 10.1021/jm900335a | Stromelysin-1 | 1 |
| 19775099 | 10.1021/jm900335a | Matrix metalloproteinase-9 | 1 |
Data from ChEMBL 36 via Core Engine