Compound Detail
CHEMBL4634645
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C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@H]([C@@H]7CC(=O)O[C@@H]7O)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4634645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJEGMVFPDFWLKE-VJEKHETHSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
799.0
MW (Da)
1.62
ALogP
15
HBA
7
HBD
223.3
PSA (Ų)
0.14
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32096998 | 10.1021/acs.jnatprod.9b01060 | HT-29 | 1 |
| 32096998 | 10.1021/acs.jnatprod.9b01060 | MDA-MB-231 | 1 |
| 32096998 | 10.1021/acs.jnatprod.9b01060 | OVCAR-3 | 1 |
| 32096998 | 10.1021/acs.jnatprod.9b01060 | MDA-MB-435 | 1 |
| 32096998 | 10.1021/acs.jnatprod.9b01060 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine