Compound Detail
CHEMBL4800420
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Nc1ncnc2c1ncn2[C@H]1C[C@@H]2OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(O)ncnc54)[C@H](F)[C@@H]3OP(=O)(O)OC[C@H]2O1
Basic Information
| ChEMBL ID | CHEMBL4800420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUVCLYQLZVZISM-JMMIKBGYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
645.4
MW (Da)
0.49
ALogP
18
HBA
4
HBD
263.4
PSA (Ų)
0.22
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stimulator of interferon genes protein CHEMBL4523377 | EC50 | 5.64 | 5.2267 | 2300.0 | 3 |
| Stimulator of interferon genes protein CHEMBL4523311 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stimulator of interferon genes protein | EC50 | = | 2300.0 | nM | 5.64 | Activation of STING in human THP-1-Dual cells assessed as induction of type I IF... | 27783523 |
| Stimulator of interferon genes protein | EC50 | = | 2800.0 | nM | 5.55 | Activation of STING in human blood assessed as induction of type I IFNs incubate... | 27783523 |
| Stimulator of interferon genes protein | EC50 | = | 5000.0 | nM | 5.3 | Activation of STING in mouse RAW-Lucia ISG cells assessed as induction of type I... | 27783523 |
| Stimulator of interferon genes protein | EC50 | = | 32300.0 | nM | 4.49 | Activation of STING in human THP-1-Dual cells assessed as induction of type I IF... | 27783523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27783523 | 10.1021/acs.jmedchem.6b01300 | Stimulator of interferon genes protein | 8 |
| 27783523 | 10.1021/acs.jmedchem.6b01300 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine