Compound Detail
CHEMBL5174660
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CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCCN)c21
Basic Information
| ChEMBL ID | CHEMBL5174660 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHYYYXLQUGJICH-CMDGGOBGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
779.9
MW (Da)
3.13
ALogP
15
HBA
5
HBD
260.1
PSA (Ų)
0.07
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stimulator of interferon genes protein CHEMBL4523377 | EC50 | 8.79 | 8.395 | 1.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stimulator of interferon genes protein | EC50 | = | 1.624 | nM | 8.79 | Agonist activity at STING in human wild-type THP1-Dual cells co-expressing ISRE ... | 35315650 |
| Stimulator of interferon genes protein | EC50 | = | 10.0 | nM | 8.0 | Agonist activity at STING in digitonin-permeabilized human THP1-Dual cells expre... | 37486969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35315650 | 10.1021/acs.jmedchem.1c01795 | Stimulator of interferon genes protein | 2 |
| 35315650 | 10.1021/acs.jmedchem.1c01795 | Unchecked | 1 |
| 37486969 | 10.1021/acs.jmedchem.3c00907 | Stimulator of interferon genes protein | 1 |
Data from ChEMBL 36 via Core Engine