Compound Detail
CHEMBL3972836
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Basic Information
| ChEMBL ID | CHEMBL3972836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJEJHTFPLBTMLO-SFHVURJKSA-N |
11
Targets
19
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
2.38
ALogP
3
HBA
3
HBD
87.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 19 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 8.4 | 7.9967 | 4.0 | 3 |
| A disintegrin and metalloproteinase with thrombospondin motifs 4 CHEMBL2318 | IC50 | 8.15 | 8.15 | 7.0 | 2 |
| Neutrophil collagenase CHEMBL4588 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
| A disintegrin-like and metallopeptidase (Reprolysin type) with thrombospondin type 1 motif, 5 (Aggrecanase-2) CHEMBL3988600 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| Macrophage metalloelastase CHEMBL4393 | IC50 | 7.15 | 7.15 | 71.0 | 2 |
| Interstitial collagenase CHEMBL332 | IC50 | 5.34 | 5.34 | 4550.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 5.33 | 5.33 | 4652.0 | 2 |
| Collagenase 3 CHEMBL280 | IC50 | 5.32 | 5.32 | 4800.0 | 2 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 5.12 | 5.12 | 7590.0 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 4.89 | 4.885 | 13000.0 | 2 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.83 | 4.825 | 14870.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28613895 | 10.1021/acs.jmedchem.7b00650 | A disintegrin and metalloproteinase with thrombospondin motifs 5 | 2 |
| 28613895 | 10.1021/acs.jmedchem.7b00650 | A disintegrin and metalloproteinase with thrombospondin motifs 4 | 1 |
| 28613895 | 10.1021/acs.jmedchem.7b00650 | 72 kDa type IV collagenase | 1 |
| 28613895 | 10.1021/acs.jmedchem.7b00650 | Stromelysin-1 | 1 |
| 28613895 | 10.1021/acs.jmedchem.7b00650 | Macrophage metalloelastase | 1 |
| 28613895 | 10.1021/acs.jmedchem.7b00650 | Collagenase 3 | 1 |
| 28613895 | 10.1021/acs.jmedchem.7b00650 | Matrix metalloproteinase-14 | 1 |
| 28613895 | 10.1021/acs.jmedchem.7b00650 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine