Compound Detail
CHEMBL88765
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CC(C)[C@H](NC(=O)C(=O)N(C)c1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F
Basic Information
| ChEMBL ID | CHEMBL88765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHJZLGZUYMCDSY-DFBJGRDBSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
605.5
MW (Da)
3.11
ALogP
6
HBA
3
HBD
142.1
PSA (Ų)
0.17
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15109679 | 10.1016/j.bmcl.2003.12.106 | Caspase-1 | 1 |
| 15109679 | 10.1016/j.bmcl.2003.12.106 | Caspase-3 | 1 |
| 15109679 | 10.1016/j.bmcl.2003.12.106 | Caspase-6 | 1 |
| 15109679 | 10.1016/j.bmcl.2003.12.106 | Caspase-8 | 1 |
| 15109679 | 10.1016/j.bmcl.2003.12.106 | Jurkat | 1 |
| 15109679 | 10.1016/j.bmcl.2003.12.106 | Rattus norvegicus | 1 |
| 15109679 | 10.1016/j.bmcl.2003.12.106 | SKW 6.4 | 1 |
Data from ChEMBL 36 via Core Engine