Compound Detail
CHEMBL456682
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COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL456682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJLKDRHLSHUVHJ-WRQPBNPDSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
652.7
MW (Da)
7.26
ALogP
8
HBA
2
HBD
113.6
PSA (Ų)
0.15
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16124759 | 10.1021/np058033l | BXPC-3 | 1 |
| 16124759 | 10.1021/np058033l | SF-295 | 1 |
| 16124759 | 10.1021/np058033l | P388 | 1 |
| 16124759 | 10.1021/np058033l | MCF7 | 1 |
| 16124759 | 10.1021/np058033l | KM-20L2 | 1 |
| 16124759 | 10.1021/np058033l | NCI-H460 | 1 |
| 16124759 | 10.1021/np058033l | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine