Compound Detail
CHEMBL5911979
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Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(S)O[C@@H]3[C@@H](O)[C@H](C[C@H]3n3cnc4c(=O)[nH]cnc43)OP(=O)(S)O[C@H]2[C@@H]1F
Basic Information
| ChEMBL ID | CHEMBL5911979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEGXISBVDMBCAH-GZVIZYBCSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
677.5
MW (Da)
1.34
ALogP
17
HBA
5
HBD
233.7
PSA (Ų)
0.15
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.52
Ki 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stimulator of interferon genes protein CHEMBL4523377 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| Stimulator of interferon genes protein CHEMBL4523377 | Kd | 9.52 | 9.26 | 0.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stimulator of interferon genes protein | Ki | = | 0.2 | nM | 9.7 | Radioligand Binding Assay: A radioligand binding assay was developed to determin... | - |
| Stimulator of interferon genes protein | Kd | = | 0.3 | nM | 9.52 | Surface Plasmon Resonance (SPR) Binding: Surface plasmon resonance (SPR) STING a... | - |
| Stimulator of interferon genes protein | Kd | = | 1.0 | nM | 9.0 | Surface Plasmon Resonance (SPR) Binding: Surface plasmon resonance (SPR) STING a... | - |
Data from ChEMBL 36 via Core Engine