Compound Detail
CHEMBL507802
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CC(C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)O
Basic Information
| ChEMBL ID | CHEMBL507802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJOWBVSGDGLUKQ-SBFMVFAKSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
540.8
MW (Da)
7.62
ALogP
4
HBA
1
HBD
80.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18553923 | 10.1021/np800167x | HL-60 | 1 |
| 18553923 | 10.1021/np800167x | HeLa | 1 |
| 18553923 | 10.1021/np800167x | NON-PROTEIN TARGET | 1 |
| 18553923 | 10.1021/np800167x | A549 | 1 |
| 18553923 | 10.1021/np800167x | Unchecked | 1 |
| 25027934 | 10.1016/j.bmcl.2014.06.068 | A549 | 1 |
| 25027934 | 10.1016/j.bmcl.2014.06.068 | Nuclear factor NF-kappa-B complex | 1 |
Data from ChEMBL 36 via Core Engine