Compound Detail
CHEMBL4635988
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Basic Information
| ChEMBL ID | CHEMBL4635988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEDDEYUBLWOYBE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
5.35
ALogP
4
HBA
0
HBD
41.9
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Mitogen-activated protein kinase 11 CHEMBL3961 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 5.04 | 5.04 | 9130.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1 | 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 | = | 250.0 | nM | 6.6 | Inhibition of human p38alpha | 30978288 |
| Mitogen-activated protein kinase 11 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of human p38beta | 30978288 |
| Casein kinase I isoform delta | IC50 | = | 9130.0 | nM | 5.04 | Inhibition of human CK1delta | 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