Compound Detail
CHEMBL522586
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CCCN[C@@H]1C[C@@H]2c3cc4c(c(O)c3C(=O)N[C@H]2[C@H](O)[C@@H]1O)OCO4.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL522586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSOWEGPZEWNZMZ-JWLDOWRASA-N |
| Parent Compound | CHEMBL1187814 |
| Active Moiety | CHEMBL1187814 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
-0.19
ALogP
7
HBA
5
HBD
120.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
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