Compound Detail
CHEMBL238131
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CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@@H]1OC3=O
Basic Information
| ChEMBL ID | CHEMBL238131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIKMGNRXSZTLAJ-GLFDZUFSSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
588.8
MW (Da)
5.23
ALogP
7
HBA
3
HBD
105.5
PSA (Ų)
0.30
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17614290 | 10.1016/j.bmc.2007.06.033 | A549 | 1 |
| 17614290 | 10.1016/j.bmc.2007.06.033 | DLD-1 | 1 |
| 17614290 | 10.1016/j.bmc.2007.06.033 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine