Compound Detail
CHEMBL5082361
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Basic Information
| ChEMBL ID | CHEMBL5082361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXJLSAVVQKZRIH-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.3
MW (Da)
2.24
ALogP
6
HBA
2
HBD
109.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.77
IC50 3 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stimulator of interferon genes protein CHEMBL4523311 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
| Stimulator of interferon genes protein CHEMBL4523377 | IC50 | 5.31 | 5.065 | 4900.0 | 2 |
| Stimulator of interferon genes protein CHEMBL4523311 | EC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Stimulator of interferon genes protein CHEMBL4523377 | EC50 | 4.43 | 4.3 | 37000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stimulator of interferon genes protein | IC50 | = | 540.0 | nM | 6.27 | Displacement of fluorescein-labelled probe from wild type mouse His-tagged STING... | 35108011 |
| Stimulator of interferon genes protein | IC50 | = | 4900.0 | nM | 5.31 | Displacement of fluorescein-labelled probe from human cytoplasmic domain of STIN... | 35108011 |
| Stimulator of interferon genes protein | IC50 | = | 15000.0 | nM | 4.82 | Displacement of fluorescein-labelled probe from wild type human His-tagged STING... | 35108011 |
| Stimulator of interferon genes protein | EC50 | = | 17000.0 | nM | 4.77 | Binding affinity to wild type mouse His-tagged STING cytoplasmic domain (155 to ... | 35108011 |
| Stimulator of interferon genes protein | EC50 | = | 37000.0 | nM | 4.43 | Binding affinity to human STING G230A/R293Q double mutant cytoplasmic domain (15... | 35108011 |
| Stimulator of interferon genes protein | EC50 | = | 67000.0 | nM | 4.17 | Binding affinity to wild type human His-tagged STING cytoplasmic domain (155 to ... | 35108011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35108011 | 10.1021/acs.jmedchem.1c01986 | Stimulator of interferon genes protein | 6 |
| 35108011 | 10.1021/acs.jmedchem.1c01986 | ADMET | 5 |
Data from ChEMBL 36 via Core Engine