Compound Detail
CHEMBL5088178
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Basic Information
| ChEMBL ID | CHEMBL5088178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHTSIWUTEYRKSI-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.8
MW (Da)
2.76
ALogP
6
HBA
2
HBD
109.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.72
EC50 2 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stimulator of interferon genes protein CHEMBL4523311 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Stimulator of interferon genes protein CHEMBL4523377 | IC50 | 4.62 | 4.43 | 24000.0 | 2 |
| Stimulator of interferon genes protein CHEMBL4523311 | EC50 | 4.19 | 4.19 | 65000.0 | 1 |
| Stimulator of interferon genes protein CHEMBL4523377 | EC50 | 4.08 | 4.08 | 83000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stimulator of interferon genes protein | IC50 | = | 19000.0 | nM | 4.72 | Displacement of fluorescein-labelled probe from wild type mouse His-tagged STING... | 35108011 |
| Stimulator of interferon genes protein | IC50 | = | 24000.0 | nM | 4.62 | Displacement of fluorescein-labelled probe from human cytoplasmic domain of STIN... | 35108011 |
| Stimulator of interferon genes protein | IC50 | = | 58000.0 | nM | 4.24 | Displacement of fluorescein-labelled probe from wild type human His-tagged STING... | 35108011 |
| Stimulator of interferon genes protein | EC50 | = | 65000.0 | nM | 4.19 | Binding affinity to wild type mouse His-tagged STING cytoplasmic domain (155 to ... | 35108011 |
| Stimulator of interferon genes protein | EC50 | = | 83000.0 | nM | 4.08 | Binding affinity to human STING G230A/R293Q double mutant cytoplasmic domain (15... | 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