Compound Detail
CHEMBL466931
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COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Basic Information
| ChEMBL ID | CHEMBL466931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTKHRLZMWODHJA-KUCLMONLSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
522.5
MW (Da)
0.37
ALogP
11
HBA
6
HBD
167.5
PSA (Ų)
0.26
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29116780 | 10.1021/acs.jnatprod.7b00457 | No relevant target | 2 |
| 18396904 | 10.1021/np070565+ | NON-PROTEIN TARGET | 1 |
| 23356964 | 10.1021/np300609u | Radical scavenging activity | 1 |
| 25467159 | 10.1016/j.bmcl.2014.10.068 | BV-2 | 1 |
| 25894905 | 10.1021/acs.jnatprod.5b00090 | C6 | 1 |
| 25894905 | 10.1021/acs.jnatprod.5b00090 | ADMET | 1 |
| 25894905 | 10.1021/acs.jnatprod.5b00090 | SK-MEL-2 | 1 |
| 25894905 | 10.1021/acs.jnatprod.5b00090 | SK-OV-3 | 1 |
| 25894905 | 10.1021/acs.jnatprod.5b00090 | A549 | 1 |
| 25894905 | 10.1021/acs.jnatprod.5b00090 | HCT-15 | 1 |
| 29116780 | 10.1021/acs.jnatprod.7b00457 | Alpha glucosidase | 1 |
| 29116780 | 10.1021/acs.jnatprod.7b00457 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine