Compound Detail
CHEMBL5287469
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CC[C@@H](C)[C@@H](C)C(=O)OC/C=C(\C)C(=O)OC[C@@H]1CCN2CCC[C@H]12
Basic Information
| ChEMBL ID | CHEMBL5287469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGDNLPUPCCITNM-LEKJTUOQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
351.5
MW (Da)
3.19
ALogP
5
HBA
0
HBD
55.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.41 | 4.41 | 38600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 38600.0 | nM | 4.41 | Inhibition of NO production in LPS-stimulated mouse RAW264.7 cells incubated for... | 33454546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33454546 | 10.1016/j.ejmech.2021.113165 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine