Compound Detail
CHEMBL5175901
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CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCOC)c2n1CCCNC(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5175901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNVBVVKAQBTDQW-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
591.7
MW (Da)
3.64
ALogP
10
HBA
3
HBD
164.6
PSA (Ų)
0.18
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.54
IC50 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stimulator of interferon genes protein CHEMBL4523377 | EC50 | 6.54 | 6.54 | 287.0 | 1 |
| Stimulator of interferon genes protein CHEMBL4523377 | IC50 | 6.42 | 6.42 | 379.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stimulator of interferon genes protein | EC50 | = | 287.0 | nM | 6.54 | Agonist activity at human wild type STING | 35671593 |
| Stimulator of interferon genes protein | IC50 | = | 379.4 | nM | 6.42 | Inhibition of human wild type STING by HTRF assay | 35671593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35671593 | 10.1016/j.ejmech.2022.114482 | Stimulator of interferon genes protein | 2 |
| 36462438 | 10.1016/j.ejmech.2022.114943 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine