Compound Detail
CHEMBL225333
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C=C[C@]12C=C(C#N)C(=O)C=C1[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2
Basic Information
| ChEMBL ID | CHEMBL225333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCHJHBMERUFOTG-NDXORKPFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
3.59
ALogP
4
HBA
0
HBD
81.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW | IC50 | = | 10.0 | nM | 8.0 | Inhibition of interferon gamma-stimulated NO production in RAW 264.7 cells after... | 17367124 |
| RAW264.7 | IC50 | = | 10.0 | nM | 8.0 | 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 | 2 |
| 17367124 | 10.1021/jm070141c | RAW | 1 |
| 21361338 | 10.1021/jm101445p | NAD(P)H dehydrogenase [quinone] 1 | 1 |
| 27460172 | 10.1016/j.bmcl.2016.07.028 | Nuclear factor erythroid 2-related factor 2 | 1 |
Data from ChEMBL 36 via Core Engine