Compound Detail
CHEMBL5176115
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CCn1nc(C)cc1C(=O)NCCCOc1cc(C(N)=O)cc2nc(NC(=O)c3cc(C)nn3CC)n(C)c12
Basic Information
| ChEMBL ID | CHEMBL5176115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZRWWBFZIKGCGY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
2.17
ALogP
10
HBA
3
HBD
164.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stimulator of interferon genes protein CHEMBL4523377 | EC50 | 5.21 | 5.21 | 6222.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stimulator of interferon genes protein | EC50 | = | 6222.0 | nM | 5.21 | Agonist activity at STING in human wild-type THP1-Dual cells co-expressing ISRE ... | 35315650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35315650 | 10.1021/acs.jmedchem.1c01795 | Unchecked | 2 |
| 35315650 | 10.1021/acs.jmedchem.1c01795 | Stimulator of interferon genes protein | 2 |
| 35315650 | 10.1021/acs.jmedchem.1c01795 | THP1-Dual | 1 |
Data from ChEMBL 36 via Core Engine