Compound Detail
CHEMBL4079407
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CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@H](O)CC(=O)[C@@]4(C)[C@]3(C)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL4079407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNSZDCAXCXZALO-XSTTYIRUSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
2.93
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28318944 | 10.1016/j.bmcl.2017.03.014 | Lu1 | 1 |
| 28318944 | 10.1016/j.bmcl.2017.03.014 | KB | 1 |
| 28318944 | 10.1016/j.bmcl.2017.03.014 | HepG2 | 1 |
| 28318944 | 10.1016/j.bmcl.2017.03.014 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine