Compound Detail
CHEMBL5088451
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Basic Information
| ChEMBL ID | CHEMBL5088451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYBOMSCGLGXURH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
322.3
MW (Da)
2.77
ALogP
5
HBA
0
HBD
72.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stimulator of interferon genes protein CHEMBL4523377 | EC50 | 4.89 | 4.855 | 13000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stimulator of interferon genes protein | EC50 | = | 13000.0 | nM | 4.89 | Agonist activity at STING in human THP1 Dual cells assessed as IRF reporter acti... | 35108011 |
| Stimulator of interferon genes protein | EC50 | = | 15000.0 | nM | 4.82 | Agonist activity at STING in human THP1-Dual cells assessed as NF-kappaB reporte... | 35108011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35108011 | 10.1021/acs.jmedchem.1c01986 | Stimulator of interferon genes protein | 12 |
| 35108011 | 10.1021/acs.jmedchem.1c01986 | ADMET | 5 |
Data from ChEMBL 36 via Core Engine