Compound Detail
CHEMBL78598
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COc1ccc(CC[C@H](N[C@H](C)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL78598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRMMAIAIQQHWEX-COPCDDAFSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
499.6
MW (Da)
3.24
ALogP
6
HBA
4
HBD
126.0
PSA (Ų)
0.31
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00425-S | Stromelysin-1 | 1 |
| - | 10.1016/0960-894X(95)00425-S | Interstitial collagenase | 1 |
| - | 10.1016/0960-894X(95)00425-S | 72 kDa type IV collagenase | 1 |
Data from ChEMBL 36 via Core Engine