Compound Detail
CHEMBL427104
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Basic Information
| ChEMBL ID | CHEMBL427104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAUKJPWPKMSRRZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
3.44
ALogP
7
HBA
2
HBD
89.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.07 | 5.07 | 8479.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 8479.0 | nM | 5.07 | Inhibition of mitogen-activated protein kinase p38 alpha | 15566301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15566301 | 10.1021/jm0496584 | Blood | 2 |
| 15566301 | 10.1021/jm0496584 | Mitogen-activated protein kinase 14 | 1 |
| 15566301 | 10.1021/jm0496584 | Cytochrome P450 1A2 | 1 |
| 15566301 | 10.1021/jm0496584 | Cytochrome P450 2C9 | 1 |
| 15566301 | 10.1021/jm0496584 | Cytochrome P450 2C19 | 1 |
| 15566301 | 10.1021/jm0496584 | Cytochrome P450 2D6 | 1 |
| 15566301 | 10.1021/jm0496584 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine