Compound Detail
CHEMBL4553220
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NC[C@H]1[C@H]2OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3OP(=O)(O)OC[C@H]1O[C@H]2n1cnc2c(=O)[nH]c(N)nc21
Basic Information
| ChEMBL ID | CHEMBL4553220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSAKSUSTBZKHQP-JWQMXRISSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
687.5
MW (Da)
-2.13
ALogP
20
HBA
7
HBD
335.4
PSA (Ų)
0.11
QED
3
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stimulator of interferon genes protein CHEMBL4523377 | EC50 | 7.67 | 7.67 | 21.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stimulator of interferon genes protein | EC50 | = | 21.5 | nM | 7.67 | Displacement of [3H]-cGAMP from full length STING HAQ mutant in human THP1 cells... | 31820978 |
| Stimulator of interferon genes protein | EC50 | = | 21.5 | nM | 7.67 | 3H-cGAMP Filtration Binding Assay (HAQ STING): The compounds were serially titra... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31820978 | 10.1021/acs.jmedchem.9b01039 | Stimulator of interferon genes protein | 2 |
Data from ChEMBL 36 via Core Engine