Compound Detail
CHEMBL1082983
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Basic Information
| ChEMBL ID | CHEMBL1082983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GITVQUOQRHRGQQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
1
PK Parameters
10
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
3.28
ALogP
5
HBA
2
HBD
77.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 8.07 | 7.7133 | 8.6 | 3 |
| Toll-like receptor 8 CHEMBL5805 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 8.58 | nM | 8.07 | Agonist activity at human TLR7 expressed in NF-kappaB-stimulated HEK293 cells as... | 20481492 |
| Toll-like receptor 7 | EC50 | = | 8.58 | nM | 8.07 | Agonist activity at TLR7 (unknown origin) | 37163340 |
| Toll-like receptor 8 | EC50 | = | 100.0 | nM | 7.0 | Agonist activity at human TLR8 transfected in HEK cells assessed as NFkappaB ind... | 22837811 |
| Toll-like receptor 7 | EC50 | = | 100.0 | nM | 7.0 | Agonist activity at human TLR7 transfected in HEK cells assessed as NFkappaB ind... | 22837811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22837811 | 10.1021/ml300079e | Unchecked | 4 |
| 22837811 | 10.1021/ml300079e | Toll-like receptor 8 | 2 |
| 22837811 | 10.1021/ml300079e | Toll-like receptor 7 | 2 |
| 20481492 | 10.1021/jm100358c | Toll-like receptor 8 | 1 |
| 20481492 | 10.1021/jm100358c | Toll-like receptor 7 | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 34355178 | 10.1039/D1MD00031D | Toll-like receptor 7 | 1 |
| 34355178 | 10.1039/D1MD00031D | Toll-like receptor 8 | 1 |
| 37163340 | 10.1021/acs.jmedchem.2c01655 | Toll-like receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine