Compound Detail
CHEMBL524530
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Basic Information
| ChEMBL ID | CHEMBL524530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJLXFMOCVUROFH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
4.51
ALogP
3
HBA
0
HBD
30.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 200.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 83.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | - | % | Rattus norvegicus |
| T1/2 | 1.2 | 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 | = | 160.0 | nM | 6.8 | Inhibition of GST-fused p38alpha expressed in Escherichia coli | 18818075 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18818075 | 10.1016/j.bmcl.2008.09.040 | Rattus norvegicus | 5 |
| 18818075 | 10.1016/j.bmcl.2008.09.040 | ADMET | 2 |
| 18818075 | 10.1016/j.bmcl.2008.09.040 | Mitogen-activated protein kinase 14 | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine