Compound Detail
CHEMBL1096215
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CCCCCCCCC(=O)O[C@]12[C@H]([C@@H]3C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]3(O)C[C@H]1OC(=O)c1ccccc1)C2(C)C
Basic Information
| ChEMBL ID | CHEMBL1096215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCZMBPWIQJRZDE-VSHBPWGQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
594.8
MW (Da)
4.85
ALogP
8
HBA
3
HBD
130.4
PSA (Ų)
0.19
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 10.0 | nM | 8.0 | Antiinflammatory activity against mouse RAW264.7 cells assessed as inhibition of... | 20192236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20192236 | 10.1021/np9005053 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine