Compound Detail
CHEMBL2216760
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Basic Information
| ChEMBL ID | CHEMBL2216760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMUKZTRCWGVBDU-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
3.07
ALogP
7
HBA
2
HBD
103.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 5.92 | 5.8367 | 1200.0 | 3 |
| Toll-like receptor 8 CHEMBL5805 | EC50 | 4.68 | 4.4533 | 20860.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 1200.0 | nM | 5.92 | Agonist activity at human TLR7 transfected in HEK cells assessed as NFkappaB ind... | 22837811 |
| Toll-like receptor 7 | EC50 | = | 1500.0 | nM | 5.82 | Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP r... | 24383475 |
| Toll-like receptor 7 | EC50 | = | 1690.0 | nM | 5.77 | Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkap... | 29152046 |
| Toll-like receptor 8 | EC50 | = | 20860.0 | nM | 4.68 | Agonist activity at human TLR8 expressed in HEK cells after 8 to 12 hrs by NFkap... | 29152046 |
| Toll-like receptor 8 | EC50 | = | 41300.0 | nM | 4.38 | Agonist activity at human TLR8 transfected in HEK cells assessed as NFkappaB ind... | 22837811 |
| Toll-like receptor 8 | EC50 | = | 49600.0 | nM | 4.3 | Agonist activity at human TLR-8 expressed in HEK293 cells after 24 hrs by SEAP r... | 24383475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22837811 | 10.1021/ml300079e | Unchecked | 4 |
| 24383475 | 10.1021/jm4004957 | TLR7 and TLR8 | 4 |
| 22837811 | 10.1021/ml300079e | Toll-like receptor 8 | 1 |
| 22837811 | 10.1021/ml300079e | Toll-like receptor 7 | 1 |
| 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