Compound Detail
CHEMBL554848
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C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Basic Information
| ChEMBL ID | CHEMBL554848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDXIQHTUNGFJIC-MKSIUTCMSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
722.9
MW (Da)
2.39
ALogP
12
HBA
6
HBD
176.8
PSA (Ų)
0.23
QED
3
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19362474 | 10.1016/j.bmcl.2009.03.092 | SW1990 | 1 |
| 19362474 | 10.1016/j.bmcl.2009.03.092 | BXPC-3 | 1 |
| 19362474 | 10.1016/j.bmcl.2009.03.092 | Capan-2 | 1 |
| 19362474 | 10.1016/j.bmcl.2009.03.092 | PANC-1 | 1 |
| 19362474 | 10.1016/j.bmcl.2009.03.092 | A549 | 1 |
| 19362474 | 10.1016/j.bmcl.2009.03.092 | Bel-7402 | 1 |
| 19362474 | 10.1016/j.bmcl.2009.03.092 | A2780 | 1 |
| 19362474 | 10.1016/j.bmcl.2009.03.092 | HCT-8 | 1 |
| 19362474 | 10.1016/j.bmcl.2009.03.092 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine