Compound Detail
CHEMBL1762762
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Cc1csc(C#C[C@]23C=C(C#N)C(=O)C=C2[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC3)n1
Basic Information
| ChEMBL ID | CHEMBL1762762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KESCZRFBJVJTAF-PNTFMKQHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
4.22
ALogP
6
HBA
0
HBD
94.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 20.0 | nM | 7.7 | 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 | 3 |
Data from ChEMBL 36 via Core Engine