Compound Detail
CHEMBL142425
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Basic Information
| ChEMBL ID | CHEMBL142425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCXCFBQZWGUDQC-ZDUSSCGKSA-N |
2
Targets
4
Activities
1
Assay Types
10
PK Parameters
20
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
4.22
ALogP
4
HBA
3
HBD
73.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 9.0 | 8.945 | 1.0 | 2 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 8.77 | 7.725 | 1.7 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 7248.2 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 8480.39 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 20.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 6900.0 | nM | Rattus norvegicus |
| Cmax | 10300.0 | nM | Rattus norvegicus |
| F | 85.6 | % | Rattus norvegicus |
| T1/2 | 1.5 | hr | Rattus norvegicus |
| T1/2 | 1.1 | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 1.0 | nM | 9.0 | In vitro inhibitory concentration against Mitogen-activated protein kinase p38 a... | 14561090 |
| Mitogen-activated protein kinase 14 | IC50 | = | 1.29 | nM | 8.89 | Inhibition of Mitogen-activated protein kinase p38 alpha | 14561090 |
| MAP kinase p38 | IC50 | = | 1.7 | nM | 8.77 | In vitro inhibition of LPS induced p38-related TNFalpha release by THP-1 cells | 14561090 |
| MAP kinase p38 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of LPS-induced p38-related IL1-beta production in human white blood c... | 14561090 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14561090 | 10.1021/jm0301787 | Rattus norvegicus | 11 |
| 14561090 | 10.1021/jm0301787 | Mitogen-activated protein kinase 14 | 3 |
| 14561090 | 10.1021/jm0301787 | MAP kinase p38 | 2 |
| 14561090 | 10.1021/jm0301787 | No relevant target | 2 |
| 36538005 | 10.1021/acs.jmedchem.2c01599 | Casein kinase I isoform epsilon | 1 |
| 36538005 | 10.1021/acs.jmedchem.2c01599 | Mitogen-activated protein kinase 14 | 1 |
| 14561090 | 10.1021/jm0301787 | Mitogen-activated protein kinase; ERK1/ERK2 | 1 |
| 14561090 | 10.1021/jm0301787 | Tyrosine-protein kinase Fyn | 1 |
| 14561090 | 10.1021/jm0301787 | cAMP-dependent protein kinase (PKA) | 1 |
| 14561090 | 10.1021/jm0301787 | Mitogen-activated protein kinase 8 | 1 |
| 14561090 | 10.1021/jm0301787 | Protein kinase C (PKC) | 1 |
| 14561090 | 10.1021/jm0301787 | Vascular endothelial growth factor receptor 2 | 1 |
| 14561090 | 10.1021/jm0301787 | Cyclin-dependent kinase 4 | 1 |
| 14561090 | 10.1021/jm0301787 | Cyclin-dependent kinase 3 | 1 |
| 14561090 | 10.1021/jm0301787 | Cyclin-dependent kinase 2 | 1 |
| 14561090 | 10.1021/jm0301787 | Cyclin-dependent kinase 1 | 1 |
| 14561090 | 10.1021/jm0301787 | Interleukin-1 receptor-associated kinase 4 | 1 |
| 14561090 | 10.1021/jm0301787 | Interleukin-1 receptor-associated kinase 1 | 1 |
| 14561090 | 10.1021/jm0301787 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 14561090 | 10.1021/jm0301787 | MAP kinase-activated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine