Compound Detail
CHEMBL4873384
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Basic Information
| ChEMBL ID | CHEMBL4873384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YINSFKOGVSNIAY-CYBMUJFWSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
385.2
MW (Da)
1.63
ALogP
4
HBA
2
HBD
81.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 6.76 | 6.76 | 173.0 | 1 |
| A disintegrin and metalloproteinase with thrombospondin motifs 4 CHEMBL2318 | IC50 | 6.35 | 6.35 | 448.0 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 5.63 | 5.63 | 2316.0 | 1 |
| Macrophage metalloelastase CHEMBL4393 | IC50 | 5.22 | 5.22 | 6080.0 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 9 CHEMBL5982 | IC50 | 5.07 | 5.07 | 8448.0 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 10 CHEMBL5028 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 173.0 | nM | 6.76 | Inhibition of human recombinant ADAMTS-5 assessed as cleavage of fluorescent sub... | 33719441 |
| A disintegrin and metalloproteinase with thrombospondin motifs 4 | IC50 | = | 448.0 | nM | 6.35 | Inhibition of human recombinant ADAMTS-4 (AA1 to 520) assessed as cleavage of fl... | 33719441 |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 2316.0 | nM | 5.63 | Inhibition of human recombinant TACE (AA34 to 660) assessed as cleavage of fluor... | 33719441 |
| Macrophage metalloelastase | IC50 | = | 6080.0 | nM | 5.22 | Inhibition of MMP-12 (unknown origin) | 33719441 |
| Disintegrin and metalloproteinase domain-containing protein 9 | IC50 | = | 8448.0 | nM | 5.07 | Inhibition of ADAM-9 (unknown origin) | 33719441 |
| Disintegrin and metalloproteinase domain-containing protein 10 | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of ADAM-10 (unknown origin) | 33719441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33719441 | 10.1021/acs.jmedchem.0c02008 | Cathepsin D | 1 |
| 33719441 | 10.1021/acs.jmedchem.0c02008 | Macrophage metalloelastase | 1 |
| 33719441 | 10.1021/acs.jmedchem.0c02008 | Collagenase 3 | 1 |
| 33719441 | 10.1021/acs.jmedchem.0c02008 | Matrix metalloproteinase-9 | 1 |
| 33719441 | 10.1021/acs.jmedchem.0c02008 | Neutrophil collagenase | 1 |
| 33719441 | 10.1021/acs.jmedchem.0c02008 | Matrilysin | 1 |
| 33719441 | 10.1021/acs.jmedchem.0c02008 | Stromelysin-1 | 1 |
| 33719441 | 10.1021/acs.jmedchem.0c02008 | Interstitial collagenase | 1 |
| 33719441 | 10.1021/acs.jmedchem.0c02008 | Dipeptidyl peptidase 4 | 1 |
| 33719441 | 10.1021/acs.jmedchem.0c02008 | A disintegrin and metalloproteinase with thrombospondin motifs 5 | 1 |
| 33719441 | 10.1021/acs.jmedchem.0c02008 | Caspase-3 | 1 |
| 33719441 | 10.1021/acs.jmedchem.0c02008 | Disintegrin and metalloproteinase domain-containing protein 10 | 1 |
| 33719441 | 10.1021/acs.jmedchem.0c02008 | Disintegrin and metalloproteinase domain-containing protein 9 | 1 |
| 33719441 | 10.1021/acs.jmedchem.0c02008 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 33719441 | 10.1021/acs.jmedchem.0c02008 | Matrix metalloproteinase-14 | 1 |
| 33719441 | 10.1021/acs.jmedchem.0c02008 | 72 kDa type IV collagenase | 1 |
| 33719441 | 10.1021/acs.jmedchem.0c02008 | A disintegrin and metalloproteinase with thrombospondin motifs 4 | 1 |
| 33719441 | 10.1021/acs.jmedchem.0c02008 | A disintegrin and metalloproteinase with thrombospondin motifs 1 | 1 |
Data from ChEMBL 36 via Core Engine