Compound Detail
CHEMBL111166
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CCCCCCCC(NC(=O)c1ccc(C#N)cc1)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
Basic Information
| ChEMBL ID | CHEMBL111166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHTWVSNNUSCLFN-QBHOUYDASA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
519.7
MW (Da)
5.33
ALogP
5
HBA
2
HBD
108.3
PSA (Ų)
0.24
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9925737 | 10.1021/jm980562h | Chymotrypsinogen A | 1 |
| 9925737 | 10.1021/jm980562h | Trypsin II | 1 |
| 9925737 | 10.1021/jm980562h | Chymase | 1 |
| 9925737 | 10.1021/jm980562h | Cathepsin G | 1 |
| 9925737 | 10.1021/jm980562h | Chymotrypsin-like elastase family member 2A | 1 |
| 9925737 | 10.1021/jm980562h | ADMET | 1 |
Data from ChEMBL 36 via Core Engine