Compound Detail
CHEMBL5089143
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Basic Information
| ChEMBL ID | CHEMBL5089143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BICDHWPHEXMVAT-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.3
MW (Da)
2.10
ALogP
6
HBA
2
HBD
109.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.85
IC50 3 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stimulator of interferon genes protein CHEMBL4523311 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Stimulator of interferon genes protein CHEMBL4523311 | EC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Stimulator of interferon genes protein CHEMBL4523377 | IC50 | 4.85 | 4.625 | 14000.0 | 2 |
| Stimulator of interferon genes protein CHEMBL4523377 | EC50 | 4.3 | 4.225 | 50000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stimulator of interferon genes protein | IC50 | = | 1100.0 | nM | 5.96 | Displacement of fluorescein-labelled probe from wild type mouse His-tagged STING... | 35108011 |
| Stimulator of interferon genes protein | EC50 | = | 14000.0 | nM | 4.85 | Binding affinity to wild type mouse His-tagged STING cytoplasmic domain (155 to ... | 35108011 |
| Stimulator of interferon genes protein | IC50 | = | 14000.0 | nM | 4.85 | Displacement of fluorescein-labelled probe from human cytoplasmic domain of STIN... | 35108011 |
| Stimulator of interferon genes protein | IC50 | = | 40000.0 | nM | 4.4 | Displacement of fluorescein-labelled probe from wild type human His-tagged STING... | 35108011 |
| Stimulator of interferon genes protein | EC50 | = | 50000.0 | nM | 4.3 | Binding affinity to human STING G230A/R293Q double mutant cytoplasmic domain (15... | 35108011 |
| Stimulator of interferon genes protein | EC50 | = | 71000.0 | nM | 4.15 | 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 | 15 |
| 35108011 | 10.1021/acs.jmedchem.1c01986 | ADMET | 5 |
Data from ChEMBL 36 via Core Engine