Compound Detail
CHEMBL5175739
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4C[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3F)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5175739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJRXMMBTHMVWAY-ALZPNJOUSA-N |
| Parent Compound | CHEMBL4459563 |
| Active Moiety | CHEMBL4459563 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
660.4
MW (Da)
-0.34
ALogP
18
HBA
5
HBD
289.2
PSA (Ų)
0.17
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.99
IC50 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stimulator of interferon genes protein CHEMBL4523377 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Stimulator of interferon genes protein CHEMBL4523377 | EC50 | 5.99 | 5.99 | 1020.0 | 1 |
| Stimulator of interferon genes protein CHEMBL4523311 | EC50 | 4.37 | 4.37 | 42700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stimulator of interferon genes protein | IC50 | = | 1.3 | nM | 8.89 | Displacement of radiolabeled [3H]-2',3'-cGAMP from wild type human STING incubat... | 35332774 |
| Stimulator of interferon genes protein | EC50 | = | 1020.0 | nM | 5.99 | Agonist activity at STING HAQ variant in human THP1 cell assessed as increase in... | 35332774 |
| Stimulator of interferon genes protein | EC50 | = | 42700.0 | nM | 4.37 | Agonist activity at STING HAQ variant in mouse BMDC cells assessed as increase i... | 35332774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35332774 | 10.1021/acs.jmedchem.1c02197 | Stimulator of interferon genes protein | 8 |
Data from ChEMBL 36 via Core Engine