Compound Detail
CHEMBL1762760
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CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C#Cc3ncc[nH]3)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL1762760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBGUDAHTVXKNSF-GKVQRAMASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
3.18
ALogP
5
HBA
1
HBD
110.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 400.0 | nM | 6.4 | 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