Compound Detail
CHEMBL508839
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C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL508839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMFISRZCBBZWOI-FQXFNFBVSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
911.1
MW (Da)
2.62
ALogP
15
HBA
9
HBD
254.5
PSA (Ų)
0.12
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19285391 | 10.1016/j.bmcl.2009.02.076 | ADMET | 2 |
| 19285391 | 10.1016/j.bmcl.2009.02.076 | PC-3 | 1 |
| 19285391 | 10.1016/j.bmcl.2009.02.076 | MCF7 | 1 |
| 19285391 | 10.1016/j.bmcl.2009.02.076 | DLD-1 | 1 |
| 19285391 | 10.1016/j.bmcl.2009.02.076 | A549 | 1 |
Data from ChEMBL 36 via Core Engine