Compound Detail
CHEMBL356815
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O=C1C(=Cc2ccc(-c3ccccc3C(F)(F)F)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL356815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFXYRSPYQFQWFE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
518.5
MW (Da)
6.71
ALogP
4
HBA
0
HBD
53.8
PSA (Ų)
0.17
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumor necrosis factor receptor superfamily member 1A CHEMBL3378 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumor necrosis factor receptor superfamily member 1A | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of TNF-alpha binding to TNFRc1 | 12565966 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12565966 | 10.1016/s0960-894x(02)00941-1 | Tumor necrosis factor receptor superfamily member 1A | 1 |
Data from ChEMBL 36 via Core Engine