Compound Detail
CHEMBL5436496
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Basic Information
| ChEMBL ID | CHEMBL5436496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKQUQQKSWSJZFY-HXUWFJFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
2.55
ALogP
10
HBA
4
HBD
132.4
PSA (Ų)
0.32
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL6085 | IC50 | 6.24 | 6.24 | 581.0 | 1 |
| Toll-like receptor 7 CHEMBL5936 | IC50 | 6.07 | 6.07 | 849.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | IC50 | = | 581.0 | nM | 6.24 | Agonist activity at mouse TLR7 by SEAP reporter gene based assay | 38352830 |
| Toll-like receptor 7 | IC50 | = | 849.0 | nM | 6.07 | Agonist activity at human TLR7 in HEK-Blue hTLR7 cells incubated for 18 hrs by Q... | 38352830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38352830 | 10.1021/acsmedchemlett.3c00455 | Toll-like receptor 7 | 2 |
| 38352830 | 10.1021/acsmedchemlett.3c00455 | ADMET | 2 |
| 38352830 | 10.1021/acsmedchemlett.3c00455 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 38352830 | 10.1021/acsmedchemlett.3c00455 | T-cell | 1 |
Data from ChEMBL 36 via Core Engine