Compound Detail
CHEMBL3581994
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CC/C(C)=C/C(=O)O[C@@H]1[C@H](C)C[C@H]2O[C@]1(O)[C@@H](O)[C@@]1(C)CC[C@H](O1)C(C)(C)/C=C/[C@H](C)C2=O
Basic Information
| ChEMBL ID | CHEMBL3581994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMEAIOHYSIGDJY-VCOIMRFZSA-N |
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
3.47
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26896705 | 10.1016/j.ejmech.2016.02.022 | Unchecked | 24 |
| 26896705 | 10.1016/j.ejmech.2016.02.022 | ADMET | 3 |
| 31599155 | 10.1021/acs.jnatprod.9b00251 | Vero | 2 |
| 25946116 | 10.1021/acs.jnatprod.5b00116 | HCT-116 | 1 |
| 25946116 | 10.1021/acs.jnatprod.5b00116 | MCF7 | 1 |
| 25946116 | 10.1021/acs.jnatprod.5b00116 | PC-3 | 1 |
| 25946116 | 10.1021/acs.jnatprod.5b00116 | NON-PROTEIN TARGET | 1 |
| 25946116 | 10.1021/acs.jnatprod.5b00116 | Sindbis virus | 1 |
| 25946116 | 10.1021/acs.jnatprod.5b00116 | Semliki Forest virus | 1 |
| 25946116 | 10.1021/acs.jnatprod.5b00116 | Vero | 1 |
| 26896705 | 10.1016/j.ejmech.2016.02.022 | NON-PROTEIN TARGET | 1 |
| 26896705 | 10.1016/j.ejmech.2016.02.022 | L929 | 1 |
| 27107948 | 10.1016/j.bmcl.2016.04.016 | Protein kinase C (PKC) | 1 |
| 28170253 | 10.1021/acs.jnatprod.6b01167 | A498 | 1 |
Data from ChEMBL 36 via Core Engine