Compound Detail
CHEMBL1762749
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CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)CC[C@]3(C(=O)O)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL1762749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHKFMXLSXZTPAM-AGRHKRQWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
2.82
ALogP
4
HBA
1
HBD
95.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 7.08 | 7.08 | 83.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 83.0 | nM | 7.08 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of IFN-... | 21361338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21361338 | 10.1021/jm101445p | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine