Compound Detail
CHEMBL358537
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Basic Information
| ChEMBL ID | CHEMBL358537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCXCFBQZWGUDQC-CYBMUJFWSA-N |
1
Targets
1
Activities
1
Assay Types
10
PK Parameters
2
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 1 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 | 9.0 | 1.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3044.24 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 9966.28 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 16.67 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 2800.0 | nM | Rattus norvegicus |
| Cmax | 8800.0 | nM | Rattus norvegicus |
| F | 30.5 | % | Rattus norvegicus |
| T1/2 | 1.5 | hr | Rattus norvegicus |
| T1/2 | 2.9 | 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 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14561090 | 10.1021/jm0301787 | Rattus norvegicus | 10 |
| 14561090 | 10.1021/jm0301787 | Mitogen-activated protein kinase 14 | 2 |
Data from ChEMBL 36 via Core Engine