Compound Detail
CHEMBL4642456
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Basic Information
| ChEMBL ID | CHEMBL4642456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHIDSEUGTZJIKU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
4.25
ALogP
5
HBA
0
HBD
45.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.5667 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 630.0 | nM | 6.2 | Inhibition of human p38alpha | 30978288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30978288 | 10.1021/acs.jmedchem.9b00058 | Mitogen-activated protein kinase 14 | 1 |
| 30978288 | 10.1021/acs.jmedchem.9b00058 | Mitogen-activated protein kinase 11 | 1 |
| 30978288 | 10.1021/acs.jmedchem.9b00058 | Casein kinase I isoform delta | 1 |
| 30978288 | 10.1021/acs.jmedchem.9b00058 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine