Compound Detail
CHEMBL1081702
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COC(=O)C1=C(/C=C(\C(=O)OC)C(C)C)[C@@H]2C[C@H]3C(C)(C)CCC[C@]13C(=O)O2
Basic Information
| ChEMBL ID | CHEMBL1081702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAZVRXOFQQFDSA-KIBPSTJISA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
3.35
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19711987 | 10.1021/np900047p | Vero | 2 |
| 19711987 | 10.1021/np900047p | MCF7 | 2 |
| 19711987 | 10.1021/np900047p | HEp-2 | 2 |
| 19711987 | 10.1021/np900047p | HeLa | 2 |
| 19711987 | 10.1021/np900047p | Pseudomonas aeruginosa | 1 |
| 19711987 | 10.1021/np900047p | Proteus mirabilis | 1 |
| 19711987 | 10.1021/np900047p | Escherichia coli | 1 |
| 19711987 | 10.1021/np900047p | Mycolicibacterium smegmatis | 1 |
| 19711987 | 10.1021/np900047p | Candida albicans | 1 |
| 19711987 | 10.1021/np900047p | Bacillus cereus | 1 |
| 19711987 | 10.1021/np900047p | Bacillus subtilis | 1 |
| 19711987 | 10.1021/np900047p | Staphylococcus epidermidis | 1 |
| 19711987 | 10.1021/np900047p | Staphylococcus aureus | 1 |
| 19711987 | 10.1021/np900047p | A549 | 1 |
| 19711987 | 10.1021/np900047p | Salmonella | 1 |
| 19711987 | 10.1021/np900047p | Enterococcus faecalis | 1 |
Data from ChEMBL 36 via Core Engine