Compound Detail
CHEMBL1082376
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Basic Information
| ChEMBL ID | CHEMBL1082376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSAMESIMUONYDS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
358.5
MW (Da)
5.34
ALogP
4
HBA
1
HBD
56.7
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 6.32 | 6.32 | 479.0 | 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 | = | 479.0 | nM | 6.32 | Agonist activity at human TLR7 expressed in NF-kappaB-stimulated HEK293 cells as... | 20481492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| 20481492 | 10.1021/jm100358c | Toll-like receptor 8 | 1 |
| 20481492 | 10.1021/jm100358c | Toll-like receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine