Compound Detail
CHEMBL4871168
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C[C@H]1[C@@H](O[C@H]2CC[C@@]3(C)C(=CC=C4[C@@H]5CC[C@H]([C@H](C)/C=C/C(=O)O)[C@@]5(C)CC[C@@H]43)C2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
Basic Information
| ChEMBL ID | CHEMBL4871168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGWBHULPYNKCLG-MSJJEMMPSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
636.9
MW (Da)
8.36
ALogP
6
HBA
1
HBD
83.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34399390 | 10.1016/j.ejmech.2021.113754 | HeLa | 1 |
| 34399390 | 10.1016/j.ejmech.2021.113754 | PC-3 | 1 |
| 34399390 | 10.1016/j.ejmech.2021.113754 | 786-0 | 1 |
Data from ChEMBL 36 via Core Engine