Compound Detail
CHEMBL6050363
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Nc1ncnc2c1ncn2[C@@H]1C[C@@H]2OP(=O)(S)O[C@H]3[C@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@@H]1[C@@H]2O
Basic Information
| ChEMBL ID | CHEMBL6050363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAGPDIIIGUZGHW-YDXZOIQHSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
676.5
MW (Da)
1.63
ALogP
18
HBA
5
HBD
239.8
PSA (Ų)
0.15
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.32
Ki 1 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stimulator of interferon genes protein CHEMBL4523377 | Ki | 6.97 | 6.97 | 107.0 | 1 |
| Stimulator of interferon genes protein CHEMBL4523377 | Kd | 6.32 | 6.07 | 480.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stimulator of interferon genes protein | Ki | = | 107.0 | nM | 6.97 | Radioligand Binding Assay: A radioligand binding assay was developed to determin... | - |
| Stimulator of interferon genes protein | Kd | = | 480.0 | nM | 6.32 | Surface Plasmon Resonance (SPR) Binding: Surface plasmon resonance (SPR) STING a... | - |
| Stimulator of interferon genes protein | Kd | = | 1500.0 | nM | 5.82 | Surface Plasmon Resonance (SPR) Binding: Surface plasmon resonance (SPR) STING a... | - |
Data from ChEMBL 36 via Core Engine