Compound Detail
CHEMBL4086385
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C=C1CCC[C@@H]2[C@@](C=O)(Cc3cc(C(=O)OC)cc(OC)c3O)[C@H](C)CC[C@@]12C
Basic Information
| ChEMBL ID | CHEMBL4086385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBAYEYBOHQBYNL-GZTJWTQYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
4.71
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28558970 | 10.1016/j.bmcl.2017.05.060 | WI-38 | 1 |
| 28558970 | 10.1016/j.bmcl.2017.05.060 | HeLa | 1 |
| 28558970 | 10.1016/j.bmcl.2017.05.060 | MCF7 | 1 |
| 28558970 | 10.1016/j.bmcl.2017.05.060 | A549 | 1 |
| 28558970 | 10.1016/j.bmcl.2017.05.060 | Escherichia coli | 1 |
| 28558970 | 10.1016/j.bmcl.2017.05.060 | Klebsiella pneumoniae | 1 |
| 28558970 | 10.1016/j.bmcl.2017.05.060 | Staphylococcus aureus | 1 |
| 28558970 | 10.1016/j.bmcl.2017.05.060 | Bacillus subtilis | 1 |
Data from ChEMBL 36 via Core Engine