Compound Detail
CHEMBL256519
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CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Basic Information
| ChEMBL ID | CHEMBL256519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZBVNQWNPRMHRH-LAMASETHSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
558.7
MW (Da)
4.41
ALogP
8
HBA
3
HBD
138.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22472043 | 10.1016/j.bmc.2012.03.001 | A549 | 2 |
| 18088099 | 10.1021/np0704396 | Human immunodeficiency virus 1 | 1 |
| 18088099 | 10.1021/np0704396 | C8166 | 1 |
| 18088099 | 10.1021/np0704396 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine