Compound Detail
CHEMBL1760434
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Basic Information
| ChEMBL ID | CHEMBL1760434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQBWPSLLJDBFNI-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
13
PK Parameters
20
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
2.37
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | EC50 | 7.24 | 7.24 | 58.0 | 1 |
| Toll-like receptor 7 CHEMBL5936 | EC50 | 6.99 | 6.71 | 102.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 21.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 162.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 810.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 7.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 33.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 6.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 48.0 | % | Rattus norvegicus |
| F | 69.0 | % | Rattus norvegicus |
| F | 71.0 | % | Rattus norvegicus |
| t1/2 | - | - | Rattus norvegicus |
| T1/2 | 1.1 | hr | Rattus norvegicus |
| T1/2 | 1.0 | hr | Rattus norvegicus |
| T1/2 | 5.5 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | EC50 | = | 58.0 | nM | 7.24 | Stimulation of IFN-alpha production in po dosed CD-1 mouse | - |
| Toll-like receptor 7 | EC50 | = | 102.0 | nM | 6.99 | Agonist activity at TLR7 in 24 hrs compound pre-treated human PBMC assessed as i... | - |
| Toll-like receptor 7 | EC50 | = | 269.0 | nM | 6.57 | Agonist activity at Toll-like receptor 7 | 21419626 |
| Toll-like receptor 7 | EC50 | = | 269.0 | nM | 6.57 | Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interfero... | 21885277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C0MD00197J | Rattus norvegicus | 6 |
| 21885277 | 10.1016/j.bmcl.2011.07.076 | Rattus norvegicus | 5 |
| - | 10.1039/C0MD00197J | Canis familiaris | 3 |
| - | 10.1039/C0MD00197J | Molecular identity unknown | 3 |
| - | 10.6019/CHEMBL4513161 | Pseudomonas aeruginosa | 2 |
| 21419626 | 10.1016/j.bmcl.2011.02.092 | Liver microsomes | 2 |
| 21885277 | 10.1016/j.bmcl.2011.07.076 | No relevant target | 2 |
| - | 10.1039/C0MD00197J | No relevant target | 2 |
| 21419626 | 10.1016/j.bmcl.2011.02.092 | No relevant target | 2 |
| - | 10.1039/C0MD00197J | Toll-like receptor 7 | 1 |
| 30639895 | 10.1016/j.ejmech.2018.12.045 | Hepatitis C virus | 1 |
| - | 10.1039/C0MD00197J | Cytochrome P450 3A4 | 1 |
| - | 10.1039/C0MD00197J | Cytochrome P450 1A2 | 1 |
| - | 10.1039/C0MD00197J | Adenosine receptor A2a | 1 |
| - | 10.1039/C0MD00197J | Adenosine receptor A1 | 1 |
| - | 10.1039/C0MD00197J | Acetylcholinesterase | 1 |
| - | 10.1039/C0MD00197J | Liver microsome | 1 |
| 21885277 | 10.1016/j.bmcl.2011.07.076 | Toll-like receptor 7 | 1 |
| 21885277 | 10.1016/j.bmcl.2011.07.076 | Plasma | 1 |
| 21419626 | 10.1016/j.bmcl.2011.02.092 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine