Compound Detail
CHEMBL5402464
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C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](OC(=O)c2ccccc2C(=O)OCCCCCCOc2ccc(-c3cc(=S)ss3)cc2)/C=C/C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL5402464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRRDZMUDDKHSEE-NKNWTDGDSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
737.0
MW (Da)
9.14
ALogP
11
HBA
1
HBD
108.4
PSA (Ų)
0.05
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37329677 | 10.1016/j.bmc.2023.117380 | A549 | 1 |
| 37329677 | 10.1016/j.bmc.2023.117380 | DU-145 | 1 |
| 37329677 | 10.1016/j.bmc.2023.117380 | A-375 | 1 |
| 37329677 | 10.1016/j.bmc.2023.117380 | HeLa | 1 |
| 37329677 | 10.1016/j.bmc.2023.117380 | HepG2 | 1 |
| 37329677 | 10.1016/j.bmc.2023.117380 | MDA-MB-231 | 1 |
| 37329677 | 10.1016/j.bmc.2023.117380 | L02 | 1 |
Data from ChEMBL 36 via Core Engine