Compound Detail
CHEMBL4127605
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COC(=O)C[C@H]1c2c(ccc3c2OCO3)[C@@]2(C)[C@@H](OC(C)=O)Cc3cc4c(cc3[C@@H]2N1C)OCO4
Basic Information
| ChEMBL ID | CHEMBL4127605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWIMVXPIXCYXAW-JNEFKUQGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
481.5
MW (Da)
3.18
ALogP
9
HBA
0
HBD
92.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.66 | 5.66 | 2190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 2190.0 | nM | 5.66 | Antiinflammatory activity against mouse RAW264.7 cells assessed as inhibition of... | 29853329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29853329 | 10.1016/j.bmcl.2018.05.039 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine