Compound Detail
CHEMBL492265
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Basic Information
| ChEMBL ID | CHEMBL492265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQXMJOSCBRZMKE-UHFFFAOYSA-N |
6
Targets
8
Activities
2
Assay Types
4
PK Parameters
11
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
5.47
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.4
Ki 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| THP-1 CHEMBL614245 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 9.1 | 9.1 | 0.8 | 2 |
| Blood CHEMBL613416 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 5.53 | 5.53 | 2944.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 5.26 | 5.26 | 5524.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 5.18 | 5.18 | 6626.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2332.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 28.33 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 40.0 | % | Rattus norvegicus |
| T1/2 | 1.4 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| THP-1 | IC50 | = | 0.4 | nM | 9.4 | Inhibition of LPS-induced TNFalpha production in human THP1 cells | 18817365 |
| Mitogen-activated protein kinase 14 | Ki | = | 0.4 | nM | 9.4 | Inhibition of P38alpha MAPK (unknown origin) | 31445234 |
| Mitogen-activated protein kinase 14 | IC50 | = | 0.8 | nM | 9.1 | Inhibition of p38alpha | 18817365 |
| Mitogen-activated protein kinase 14 | IC50 | = | 0.8 | nM | 9.1 | Inhibition of P38alpha MAPK (unknown origin) | 31445234 |
| Blood | IC50 | = | 2.5 | nM | 8.6 | Inhibition of TNF-alpha-induced IL8 production in human whole blood cells | 18817365 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 2944.0 | nM | 5.53 | Inhibition of cKit | 18817365 |
| Mitogen-activated protein kinase 9 | IC50 | = | 5524.0 | nM | 5.26 | Inhibition of JNK2 | 18817365 |
| Mitogen-activated protein kinase 10 | IC50 | = | 6626.0 | nM | 5.18 | Inhibition of JNK3 | 18817365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18817365 | 10.1021/jm8005417 | Rattus norvegicus | 5 |
| 31445234 | 10.1016/j.ejmech.2019.111624 | Mitogen-activated protein kinase 14 | 2 |
| 18817365 | 10.1021/jm8005417 | Mitogen-activated protein kinase 14 | 1 |
| 18817365 | 10.1021/jm8005417 | Vascular endothelial growth factor receptor 2 | 1 |
| 18817365 | 10.1021/jm8005417 | Tyrosine-protein kinase Lck | 1 |
| 18817365 | 10.1021/jm8005417 | Mast/stem cell growth factor receptor Kit | 1 |
| 18817365 | 10.1021/jm8005417 | Mitogen-activated protein kinase 8 | 1 |
| 18817365 | 10.1021/jm8005417 | Mitogen-activated protein kinase 9 | 1 |
| 18817365 | 10.1021/jm8005417 | Mitogen-activated protein kinase 10 | 1 |
| 18817365 | 10.1021/jm8005417 | THP-1 | 1 |
| 18817365 | 10.1021/jm8005417 | Blood | 1 |
Data from ChEMBL 36 via Core Engine