Compound Detail
CHEMBL2022386
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CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)OCc6cc(C(F)(F)F)cc(C(F)(F)F)c6)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL2022386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYKBQROHYZFPDS-CJBAOGIUSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
696.8
MW (Da)
10.11
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.25
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22520261 | 10.1016/j.bmcl.2012.03.081 | Hepatitis B virus | 3 |
| 22520261 | 10.1016/j.bmcl.2012.03.081 | Unchecked | 3 |
| 22520261 | 10.1016/j.bmcl.2012.03.081 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine