Compound Detail
CHEMBL499529
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C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[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 | CHEMBL499529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKEJCFWUZDNUMD-AWWFXJSASA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
897.1
MW (Da)
1.66
ALogP
16
HBA
9
HBD
254.5
PSA (Ų)
0.10
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19200744 | 10.1016/j.bmc.2009.01.022 | ADMET | 3 |
| 19200744 | 10.1016/j.bmc.2009.01.022 | A549 | 2 |
| 19200744 | 10.1016/j.bmc.2009.01.022 | DLD-1 | 2 |
Data from ChEMBL 36 via Core Engine