Compound Detail
CHEMBL520552
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C[C@@H]1CC[C@@]2(O)[C@H](CC[C@H](O)C2(C)C)[C@@]1(C)CCC1=CC(=O)O[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL520552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAGMCYJJNFHJLU-PGYBWPQXSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
2.53
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11087586 | 10.1021/np000176e | AGS | 1 |
| 11087586 | 10.1021/np000176e | DLD-1 | 1 |
| 11087586 | 10.1021/np000176e | NON-PROTEIN TARGET | 1 |
| 11087586 | 10.1021/np000176e | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine