Compound Detail
CHEMBL510651
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CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)C(=O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C
Basic Information
| ChEMBL ID | CHEMBL510651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMZBAMYUOYXRSF-RIFKXWPOSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
542.6
MW (Da)
1.29
ALogP
10
HBA
3
HBD
156.7
PSA (Ų)
0.48
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15679325 | 10.1021/np040132w | A498 | 1 |
| 15679325 | 10.1021/np040132w | NCI-H226 | 1 |
| 15679325 | 10.1021/np040132w | A549 | 1 |
| 15679325 | 10.1021/np040132w | PC-3 | 1 |
| 28240909 | 10.1021/acs.jnatprod.7b00006 | Unchecked | 1 |
| 28240909 | 10.1021/acs.jnatprod.7b00006 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine