Compound Detail
CHEMBL5943152
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CCCCOc1nc(N)c2nc(O)n(Cc3ccc(Oc4ccc(CNCCS(C)(=O)=O)cc4)nc3)c2n1
Basic Information
| ChEMBL ID | CHEMBL5943152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMGCSPOURRFJGB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
541.6
MW (Da)
2.66
ALogP
12
HBA
3
HBD
167.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 8.74 | 8.74 | 1.8 | 1 |
| Interleukin-6 CHEMBL1795129 | EC50 | 7.72 | 7.72 | 18.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 1.8 | nM | 8.74 | TLR7 Agonist Activity Assay: Engineered human embryonic kidney blue cells (HEK-B... | - |
| Interleukin-6 | EC50 | = | 18.9 | nM | 7.72 | Interleukin 6 Induction Assay: Compounds diluted in DMSO were transferred to ind... | - |
Data from ChEMBL 36 via Core Engine