Compound Detail
CHEMBL5281509
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CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cn(CC(=O)O)nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL5281509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRVWFZXOTZQPCP-FPFQSWSYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
536.8
MW (Da)
6.87
ALogP
4
HBA
2
HBD
92.4
PSA (Ų)
0.41
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.44 | 4.44 | 36570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 36570.0 | nM | 4.44 | Antiinflammatory activity against mouse RAW264.7 cells assessed as inhibition of... | 36701870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36701870 | 10.1016/j.bmc.2023.117177 | RAW264.7 | 2 |
| 36701870 | 10.1016/j.bmc.2023.117177 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine