Compound Detail
CHEMBL4648060
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Basic Information
| ChEMBL ID | CHEMBL4648060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODFGOBPLQKLCRM-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
4.42
ALogP
4
HBA
0
HBD
41.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.68
Ki 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Mitogen-activated protein kinase 11 CHEMBL3961 | IC50 | 5.52 | 5.52 | 3030.0 | 1 |
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 5.18 | 5.18 | 6650.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.55 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | Ki | = | 110.0 | nM | 6.96 | Inhibition of human p38alpha | 30978288 |
| Mitogen-activated protein kinase 14 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of human p38alpha | 30978288 |
| Mitogen-activated protein kinase 11 | IC50 | = | 3030.0 | nM | 5.52 | Inhibition of human p38beta | 30978288 |
| Casein kinase I isoform delta | IC50 | = | 6650.0 | nM | 5.18 | Inhibition of human CK1delta | 30978288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30978288 | 10.1021/acs.jmedchem.9b00058 | Mitogen-activated protein kinase 14 | 2 |
| 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