Compound Detail
CHEMBL5188919
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Nc1ncnc2c1c(I)cn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@H]2[C@H]1O)O[C@H]3n1cc(I)c2c(N)ncnc21
Basic Information
| ChEMBL ID | CHEMBL5188919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VETMLNCKWQOXLW-LAMCKDNKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
908.2
MW (Da)
0.78
ALogP
18
HBA
6
HBD
283.9
PSA (Ų)
0.12
QED
3
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stimulator of interferon genes protein CHEMBL4523377 | EC50 | 5.46 | 5.46 | 3488.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stimulator of interferon genes protein | EC50 | = | 3488.0 | nM | 5.46 | Agonist activity at human wild type STING expressed in 293T cells by digitonin c... | 36201304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36201304 | 10.1021/acs.jmedchem.2c01305 | Unchecked | 4 |
| 36201304 | 10.1021/acs.jmedchem.2c01305 | Stimulator of interferon genes protein | 3 |
Data from ChEMBL 36 via Core Engine