Compound Detail
CHEMBL3322968
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C=C(C)[C@@H](CC/C(C)=C/[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O1)OO
Basic Information
| ChEMBL ID | CHEMBL3322968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFCSVFPVLSEQQA-PHNSNYLUSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
4.43
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25124114 | 10.1016/j.bmcl.2014.07.066 | ACHN | 1 |
| 25124114 | 10.1016/j.bmcl.2014.07.066 | A498 | 1 |
| 25124114 | 10.1016/j.bmcl.2014.07.066 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine