Compound Detail
CHEMBL238323
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Basic Information
| ChEMBL ID | CHEMBL238323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFQYKLFLRSWWLC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.86
ALogP
6
HBA
2
HBD
86.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.5
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 732.0 | ng.hr.kg/mg/ml | Rattus norvegicus |
| CL | 28.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 320.0 | nM | 6.5 | Inhibition of Tpl2 kinase assessed as MEK phosphorylation by ELISA | 17664070 |
| Monocyte | IC50 | = | 600.0 | nM | 6.22 | Inhibition of LPS-induced TNFalpha production in human monocytes | 17664070 |
| Blood | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of LPS-induced TNFalpha production in human blood | 17664070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17664070 | 10.1016/j.bmc.2007.06.054 | Rattus norvegicus | 2 |
| 17664070 | 10.1016/j.bmc.2007.06.054 | Unchecked | 1 |
| 17664070 | 10.1016/j.bmc.2007.06.054 | Monocyte | 1 |
| 17664070 | 10.1016/j.bmc.2007.06.054 | Blood | 1 |
| 17664070 | 10.1016/j.bmc.2007.06.054 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine