Compound Detail
CHEMBL4066909
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CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4CC=CC(=O)[C@@]43C)[C@]1(O)[C@@H](OC(C)=O)C[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL4066909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDHYIMYYVRIJQZ-GRNXLVGOSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
764.8
MW (Da)
-0.58
ALogP
16
HBA
7
HBD
256.0
PSA (Ų)
0.09
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28257574 | 10.1021/acs.jmedchem.7b00069 | ACHN | 1 |
| 27071003 | 10.1021/acs.jnatprod.5b00911 | LNCaP | 1 |
| 27071003 | 10.1021/acs.jnatprod.5b00911 | PC-3M | 1 |
| 27071003 | 10.1021/acs.jnatprod.5b00911 | MCF7 | 1 |
| 27071003 | 10.1021/acs.jnatprod.5b00911 | NCI-H460 | 1 |
| 27071003 | 10.1021/acs.jnatprod.5b00911 | SF-268 | 1 |
| 27071003 | 10.1021/acs.jnatprod.5b00911 | HFF | 1 |
Data from ChEMBL 36 via Core Engine