Compound Detail
CHEMBL1762616
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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)CC[C@H]12
Basic Information
| ChEMBL ID | CHEMBL1762616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQDNSKXHOWSOHH-CDHQVMDDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.43
ALogP
4
HBA
0
HBD
81.7
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 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1.3 | nM | 8.89 | Antiinflammatory activity in CD-1 mouse Macrophage assessed as inhibition of IFN... | 21361338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21361338 | 10.1021/jm101445p | NON-PROTEIN TARGET | 1 |
| 21361338 | 10.1021/jm101445p | NAD(P)H dehydrogenase [quinone] 1 | 1 |
| 21361338 | 10.1021/jm101445p | ADMET | 1 |
Data from ChEMBL 36 via Core Engine