Compound Detail
CHEMBL4445882
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C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCc1ccc(C(=C\C=C2\N(CCCCS(=O)(=O)O)c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc4c3C2(C)C)/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c3C2(C)C)cc1)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4445882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUVHVYMIMBVNKN-YQGUEOHTSA-N |
8
Targets
10
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
1974.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 10 meas. best 10.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast cell carboxypeptidase A CHEMBL4523202 | Ki | 10.77 | 10.77 | 0.0 | 1 |
| Carboxypeptidase A1 CHEMBL2088 | Ki | 10.15 | 9.94 | 0.1 | 3 |
| Carboxypeptidase A2 CHEMBL4939 | Ki | 8.28 | 8.28 | 5.3 | 1 |
| Carboxypeptidase A4 CHEMBL2644 | Ki | 8.24 | 8.24 | 5.7 | 1 |
| Collagenase 3 CHEMBL280 | Ki | 6.25 | 6.25 | 562.0 | 1 |
| Stromelysin-2 CHEMBL4270 | Ki | 6.01 | 6.01 | 983.0 | 1 |
| Macrophage metalloelastase CHEMBL4393 | Ki | 5.87 | 5.87 | 1340.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | Ki | 5.59 | 5.59 | 2588.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine