Compound Detail
CHEMBL150961
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Basic Information
| ChEMBL ID | CHEMBL150961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEKGNUXGYUZNHH-UHFFFAOYSA-N |
1
Targets
7
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
1.93
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 7.2 | 6.53 | 63.7 | 7 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| t1/2 | - | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 63.7 | nM | 7.2 | Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SE... | 20232824 |
| Toll-like receptor 7 | EC50 | = | 125.89 | nM | 6.9 | Agonist activity at TLR7 in cryopreserved human PBMC assessed as IFN-alpha produ... | 26861551 |
| Toll-like receptor 7 | EC50 | = | 470.0 | nM | 6.33 | HEK-Blue TLR7 reporter assay: Engineered human embryonic kidney blue cells (HEK-... | - |
| Toll-like receptor 7 | EC50 | = | 474.0 | nM | 6.32 | TLR7 Agonist Activity Assay: Engineered human embryonic kidney blue cells (HEK-B... | - |
| Toll-like receptor 7 | EC50 | = | 474.0 | nM | 6.32 | TLR7 Agonist Activity Assay: Engineered human embryonic kidney blue cells (HEK-B... | - |
| Toll-like receptor 7 | EC50 | = | 474.0 | nM | 6.32 | TLR7 Agonist Activity Assay: Engineered human embryonic kidney blue cells (HEK-B... | - |
| Toll-like receptor 7 | EC50 | = | 474.0 | nM | 6.32 | TLR7 Agonist Activity Assay: Engineered human embryonic kidney blue cells (HEK-B... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19299126 | 10.1016/j.bmcl.2009.02.095 | Toll-like receptor 7 | 5 |
| 12459008 | 10.1021/jm0203581 | Mus musculus | 2 |
| 20232824 | 10.1021/jm100070n | Toll-like receptor 7 | 1 |
| 20232824 | 10.1021/jm100070n | Plasma | 1 |
| 34107682 | 10.1021/acs.jmedchem.1c00300 | Splenocyte | 1 |
| 34355178 | 10.1039/D1MD00031D | Unchecked | 1 |
| 26861551 | 10.1021/acs.jmedchem.5b01647 | Toll-like receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine