Compound Detail
CHEMBL5827681
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Cn1cnc2c(ncn2[C@@H]2C[C@@H]3OP(=O)(S)O[C@H]4[C@H](F)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(S)O[C@@H]2[C@@H]3O)c1=O
Basic Information
| ChEMBL ID | CHEMBL5827681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOIVRUAKOJNICG-NJTHJTJJSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
691.6
MW (Da)
1.35
ALogP
18
HBA
4
HBD
222.8
PSA (Ų)
0.17
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.36
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stimulator of interferon genes protein CHEMBL4523377 | Kd | 9.36 | 8.79 | 0.4 | 2 |
| Stimulator of interferon genes protein CHEMBL4523377 | Ki | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stimulator of interferon genes protein | Kd | = | 0.44 | nM | 9.36 | Surface Plasmon Resonance (SPR) Binding: Surface plasmon resonance (SPR) STING a... | - |
| Stimulator of interferon genes protein | Ki | = | 2.0 | nM | 8.7 | Radioligand Binding Assay: A radioligand binding assay was developed to determin... | - |
| Stimulator of interferon genes protein | Kd | = | 6.0 | nM | 8.22 | Surface Plasmon Resonance (SPR) Binding: Surface plasmon resonance (SPR) STING a... | - |
Data from ChEMBL 36 via Core Engine