Compound Detail
CHEMBL1096918
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CCCCCCCCCCCCCCCC(=O)Oc1c(C(C)C)cc2c3c1OC(=O)[C@@]31CCCC(C)(C)[C@@H]1CC2
Basic Information
| ChEMBL ID | CHEMBL1096918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXAXNGNGEYVGOO-RHBXAEEVSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
552.8
MW (Da)
10.13
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.12
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20359186 | 10.1021/np900822x | Mus musculus | 1 |
| 20359186 | 10.1021/np900822x | MRC5 | 1 |
| 20359186 | 10.1021/np900822x | AGS | 1 |
| 20359186 | 10.1021/np900822x | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine