Compound Detail
CHEMBL2023710
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COc1cc(/C=C/C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6C[C@@](C)(C(=O)OCC(N)=O)CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL2023710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZINZRDGZQWXPK-MIPTYWPVSA-N |
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
734.0
MW (Da)
8.47
ALogP
8
HBA
1
HBD
123.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
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