Compound Detail
CHEMBL4762242
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Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(O)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]2[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL4762242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFDZKVGFWMKZAM-ZILBRCNQSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
691.5
MW (Da)
0.36
ALogP
20
HBA
6
HBD
263.4
PSA (Ų)
0.12
QED
3
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stimulator of interferon genes protein CHEMBL4523377 | EC50 | 5.8 | 5.2933 | 1600.0 | 3 |
| Stimulator of interferon genes protein CHEMBL4523311 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stimulator of interferon genes protein | EC50 | = | 1600.0 | nM | 5.8 | Activation of STING in human THP-1-Dual cells assessed as induction of type I IF... | 27783523 |
| Stimulator of interferon genes protein | EC50 | = | 4000.0 | nM | 5.4 | Activation of STING in mouse RAW-Lucia ISG cells assessed as induction of type I... | 27783523 |
| Stimulator of interferon genes protein | EC50 | = | 7800.0 | nM | 5.11 | Activation of STING in human THP-1-Dual cells assessed as induction of type I IF... | 27783523 |
| Stimulator of interferon genes protein | EC50 | = | 10600.0 | nM | 4.97 | Activation of STING in human blood assessed as induction of type I IFNs incubate... | 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 |
| 27783523 | 10.1021/acs.jmedchem.6b01300 | Nuclease P1 | 1 |
Data from ChEMBL 36 via Core Engine