Compound Detail
CHEMBL5633949
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Nc1nc2c(ncn2[C@H]2C[C@@H]3OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)C[C@@H]4OP(=O)(O)/C=C/[C@H]3O2)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5633949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVVJYLCUZPVMDF-ASRWSEBTSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
638.4
MW (Da)
0.30
ALogP
17
HBA
5
HBD
280.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stimulator of interferon genes protein CHEMBL4523377 | EC50 | 6.68 | 6.3833 | 210.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stimulator of interferon genes protein | EC50 | = | 210.0 | nM | 6.68 | Agonist activity at STING G230A/R293Q mutant (unknown origin) expressed in digit... | 37567057 |
| Stimulator of interferon genes protein | EC50 | = | 440.0 | nM | 6.36 | Agonist activity at STING R71H/G230A/R293Q mutant (unknown origin) expressed in ... | 37567057 |
| Stimulator of interferon genes protein | EC50 | = | 780.0 | nM | 6.11 | Agonist activity at STING R232 mutant (unknown origin) expressed in digitonin -p... | 37567057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37567057 | 10.1016/j.ejmech.2023.115685 | Stimulator of interferon genes protein | 6 |
| 37567057 | 10.1016/j.ejmech.2023.115685 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine