Compound Detail
CHEMBL5633953
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Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2/C=C/P(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]2[C@H]1F
Basic Information
| ChEMBL ID | CHEMBL5633953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIOCJHIXZMBONN-IHHFMVCUSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
640.4
MW (Da)
0.95
ALogP
17
HBA
4
HBD
260.0
PSA (Ų)
0.22
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stimulator of interferon genes protein CHEMBL4523377 | EC50 | 6.57 | 5.898 | 270.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stimulator of interferon genes protein | EC50 | = | 270.0 | nM | 6.57 | Agonist activity at STING R71H/G230A/R293Q mutant (unknown origin) expressed in ... | 37567057 |
| Stimulator of interferon genes protein | EC50 | = | 280.0 | nM | 6.55 | Agonist activity at STING R232 mutant (unknown origin) expressed in digitonin -p... | 37567057 |
| Stimulator of interferon genes protein | EC50 | = | 390.0 | nM | 6.41 | Agonist activity at STING G230A/R293Q mutant (unknown origin) expressed in digit... | 37567057 |
| Stimulator of interferon genes protein | EC50 | = | 1500.0 | nM | 5.82 | Agonist activity at STING R293Q mutant (unknown origin) expressed in digitonin -... | 37567057 |
| Stimulator of interferon genes protein | EC50 | = | 71750.0 | nM | 4.14 | Agonist activity at wild type STING (unknown origin) expressed in HEK293T cells ... | 37567057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37567057 | 10.1016/j.ejmech.2023.115685 | Stimulator of interferon genes protein | 8 |
| 37567057 | 10.1016/j.ejmech.2023.115685 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine