Compound Detail
CHEMBL4162974
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Basic Information
| ChEMBL ID | CHEMBL4162974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEGPXIRROZENJQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
3.42
ALogP
7
HBA
2
HBD
109.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
| Toll-like receptor 8 CHEMBL5805 | EC50 | 5.66 | 5.66 | 2210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 600.0 | nM | 6.22 | Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkap... | 29152046 |
| Toll-like receptor 8 | EC50 | = | 2210.0 | nM | 5.66 | Agonist activity at human TLR8 expressed in HEK cells after 8 to 12 hrs by NFkap... | 29152046 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29152046 | 10.1021/acsmedchemlett.7b00256 | Toll-like receptor 8 | 1 |
| 29152046 | 10.1021/acsmedchemlett.7b00256 | Toll-like receptor 7 | 1 |
| 32203790 | 10.1016/j.ejmech.2020.112238 | Toll-like receptor 8 | 1 |
Data from ChEMBL 36 via Core Engine