Compound Detail
CHEMBL343446
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CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C(=O)O)=C[C@]3(C)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL343446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQGLKNMJFOHNKZ-GKCIPKSASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
2.99
ALogP
4
HBA
1
HBD
95.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 1600.0 | nM | 5.8 | Inhibitory activity against nitric oxide production induced by interferon-gamma ... | 12383005 |
| NON-PROTEIN TARGET | IC50 | = | 1600.0 | nM | 5.8 | Antiinflammatory activity in CD-1 mouse Macrophage assessed as inhibition of IFN... | 21361338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12383005 | 10.1021/jm025565f | Mus musculus | 1 |
| 21361338 | 10.1021/jm101445p | NON-PROTEIN TARGET | 1 |
| 21361338 | 10.1021/jm101445p | ADMET | 1 |
Data from ChEMBL 36 via Core Engine