Compound Detail
CHEMBL452813
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COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1C(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL452813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKMZWZCAPFKTLJ-RZVXDDHUSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
568.7
MW (Da)
5.59
ALogP
8
HBA
1
HBD
104.8
PSA (Ų)
0.39
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16124759 | 10.1021/np058033l | P388 | 1 |
| 16124759 | 10.1021/np058033l | MCF7 | 1 |
| 16124759 | 10.1021/np058033l | KM-20L2 | 1 |
| 16124759 | 10.1021/np058033l | SF-295 | 1 |
| 16124759 | 10.1021/np058033l | BXPC-3 | 1 |
| 16124759 | 10.1021/np058033l | NCI-H460 | 1 |
| 16124759 | 10.1021/np058033l | DU-145 | 1 |
| 16124759 | 10.1021/np058033l | Cryptococcus neoformans | 1 |
Data from ChEMBL 36 via Core Engine