Compound Detail
CHEMBL3116325
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Basic Information
| ChEMBL ID | CHEMBL3116325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STKCEXWJBRFRKU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
2.29
ALogP
7
HBA
2
HBD
103.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 8 CHEMBL5805 | EC50 | 5.36 | 4.895 | 4400.0 | 2 |
| Toll-like receptor 7 CHEMBL5936 | EC50 | 4.84 | 4.74 | 14370.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 8 | EC50 | = | 4400.0 | nM | 5.36 | Agonist activity at human TLR-8 expressed in HEK293 cells after 24 hrs by SEAP r... | 24383475 |
| Toll-like receptor 7 | EC50 | = | 14370.0 | nM | 4.84 | Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkap... | 29152046 |
| Toll-like receptor 7 | EC50 | = | 23000.0 | nM | 4.64 | Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP r... | 24383475 |
| Toll-like receptor 8 | EC50 | = | 37000.0 | nM | 4.43 | Agonist activity at human TLR8 expressed in HEK cells after 8 to 12 hrs by NFkap... | 29152046 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24383475 | 10.1021/jm4004957 | TLR7 and TLR8 | 4 |
| 24383475 | 10.1021/jm4004957 | Toll-like receptor 8 | 1 |
| 24383475 | 10.1021/jm4004957 | Toll-like receptor 7 | 1 |
| 29152046 | 10.1021/acsmedchemlett.7b00256 | Toll-like receptor 8 | 1 |
| 29152046 | 10.1021/acsmedchemlett.7b00256 | Toll-like receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine