Compound Detail
CHEMBL4561996
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CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)OCc6ccccc6)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
Basic Information
| ChEMBL ID | CHEMBL4561996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOBVTHPPTDDLEK-ULAYKCIASA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
792.1
MW (Da)
10.27
ALogP
8
HBA
1
HBD
108.0
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31226654 | 10.1016/j.ejmech.2019.06.029 | A549 | 1 |
| 31226654 | 10.1016/j.ejmech.2019.06.029 | MCF7 | 1 |
| 31226654 | 10.1016/j.ejmech.2019.06.029 | HepG2 | 1 |
| 31226654 | 10.1016/j.ejmech.2019.06.029 | HeLa | 1 |
| 31226654 | 10.1016/j.ejmech.2019.06.029 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine