Compound Detail
CHEMBL4521246
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CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL4521246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCRXMHCQWYVXTE-HMRSNRLKSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
929.1
MW (Da)
-0.25
ALogP
18
HBA
11
HBD
295.0
PSA (Ų)
0.08
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30808589 | 10.1016/j.bmcl.2019.02.022 | RAW264.7 | 2 |
| 31301930 | 10.1016/j.bmcl.2019.07.010 | RAW264.7 | 1 |
| 33131725 | 10.1016/j.ejmech.2020.112932 | AMP-activated protein kinase, AMPK | 1 |
| 37453188 | 10.1016/j.bmc.2023.117408 | Jurkat | 1 |
| 37453188 | 10.1016/j.bmc.2023.117408 | MT2 | 1 |
Data from ChEMBL 36 via Core Engine