Compound Detail
CHEMBL1770259
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COc1ccc(C(=O)O[C@H]2[C@H](O[C@H]3CO[C@@H](O[C@H]4CC([C@H](C)C(=O)CC[C@@H](C)CO)[C@@]5(C)CC[C@H]6[C@@H](CC[C@H]7C[C@@H](O)CC[C@@]76C)[C@H]45)[C@H](OC(C)=O)[C@H]3O)OC[C@@H](O)[C@@H]2O)cc1
Basic Information
| ChEMBL ID | CHEMBL1770259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBWDIPYSLMYCML-BKGYXVJYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
875.1
MW (Da)
3.96
ALogP
15
HBA
5
HBD
217.0
PSA (Ų)
0.17
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21482468 | 10.1016/j.bmcl.2011.03.065 | HCT-8 | 1 |
| 21482468 | 10.1016/j.bmcl.2011.03.065 | Bel-7402 | 1 |
| 21482468 | 10.1016/j.bmcl.2011.03.065 | KETR3 | 1 |
| 21482468 | 10.1016/j.bmcl.2011.03.065 | A2780 | 1 |
| 21482468 | 10.1016/j.bmcl.2011.03.065 | MCF7 | 1 |
| 21482468 | 10.1016/j.bmcl.2011.03.065 | A549 | 1 |
| 21482468 | 10.1016/j.bmcl.2011.03.065 | BGC-823 | 1 |
Data from ChEMBL 36 via Core Engine