Compound Detail
CHEMBL489475
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O=C1N[C@@H]2C(=C[C@H](O)[C@@H](O)[C@H]2OS(=O)(=O)[O-])c2cc3c(c(O)c21)OCO3.[Na+]
Basic Information
| ChEMBL ID | CHEMBL489475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJQDBBXURORHHG-CXWROGRPSA-M |
| Parent Compound | CHEMBL1208057 |
| Active Moiety | CHEMBL1208057 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
387.3
MW (Da)
-1.46
ALogP
9
HBA
5
HBD
171.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
2
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