Compound Detail
CHEMBL474533
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CCN1C(=O)c2c(cc3c(c2O)OCO3)C2=C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL474533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTQYZKKITXETGV-MBGOOHRESA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
335.3
MW (Da)
-0.56
ALogP
7
HBA
4
HBD
119.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19199649 | 10.1021/jm8013585 | PC-3 | 1 |
| 19199649 | 10.1021/jm8013585 | NON-PROTEIN TARGET | 1 |
| 19199649 | 10.1021/jm8013585 | BXPC-3 | 1 |
| 19199649 | 10.1021/jm8013585 | LoVo | 1 |
| 19199649 | 10.1021/jm8013585 | A549 | 1 |
| 19199649 | 10.1021/jm8013585 | MCF7 | 1 |
| 19199649 | 10.1021/jm8013585 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine