Compound Detail
CHEMBL5950488
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Basic Information
| ChEMBL ID | CHEMBL5950488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHSSYCYTOXFRAZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
3.34
ALogP
11
HBA
5
HBD
156.3
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 8.49 | 8.49 | 3.2 | 1 |
| Interleukin-6 CHEMBL1795129 | EC50 | 8.11 | 8.11 | 7.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 3.2 | nM | 8.49 | TLR7 Agonist Activity Assay: Engineered human embryonic kidney blue cells (HEK-B... | - |
| Interleukin-6 | EC50 | = | 7.8 | nM | 8.11 | Interleukin 6 Induction Assay: Compounds diluted in DMSO were transferred to ind... | - |
Data from ChEMBL 36 via Core Engine