Compound Detail
CHEMBL1779453
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COc1ccc(C(=O)O[C@H]2[C@H](O[C@H]3CO[C@@H](O[C@H]4C=C5C[C@@H](O)CC[C@]5(C)[C@H]5CC[C@]6(C)[C@@H]([C@H](C)CCC[C@@H](C)CO)[C@@H](O)C[C@H]6[C@H]45)[C@H](OC(C)=O)[C@H]3O)OC[C@@H](O)[C@@H]2O)cc1
Basic Information
| ChEMBL ID | CHEMBL1779453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZTRTLHAOYCVNB-MPAORWIRSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
875.1
MW (Da)
3.67
ALogP
15
HBA
6
HBD
220.1
PSA (Ų)
0.12
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21530251 | 10.1016/j.bmcl.2011.04.030 | HCT-8 | 1 |
| 21530251 | 10.1016/j.bmcl.2011.04.030 | Bel-7402 | 1 |
| 21530251 | 10.1016/j.bmcl.2011.04.030 | BGC-823 | 1 |
| 21530251 | 10.1016/j.bmcl.2011.04.030 | A2780 | 1 |
| 21530251 | 10.1016/j.bmcl.2011.04.030 | A549 | 1 |
Data from ChEMBL 36 via Core Engine