Compound Detail
CHEMBL3594156
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CC(C)=CCC/C(C)=C/CC/C(=C\Cc1cc(O)ccc1O)C(=O)O[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)[C@](C)(O)CO
Basic Information
| ChEMBL ID | CHEMBL3594156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTKNDUKCUUVUEV-KNBDTWKSSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
799.1
MW (Da)
11.21
ALogP
7
HBA
4
HBD
124.3
PSA (Ų)
0.06
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26287401 | 10.1021/acs.jnatprod.5b00331 | Unchecked | 2 |
| 26287401 | 10.1021/acs.jnatprod.5b00331 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 1 |
| 26287401 | 10.1021/acs.jnatprod.5b00331 | Sucrase-isomaltase, intestinal | 1 |
| 26287401 | 10.1021/acs.jnatprod.5b00331 | Acidic alpha-glucosidase | 1 |
| 26287401 | 10.1021/acs.jnatprod.5b00331 | K562 | 1 |
| 26287401 | 10.1021/acs.jnatprod.5b00331 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine