Compound Detail
CHEMBL5963663
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Basic Information
| ChEMBL ID | CHEMBL5963663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWEOMWCGPLXIKR-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
4.42
ALogP
4
HBA
4
HBD
97.7
PSA (Ų)
0.24
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 6.53 | 6.53 | 295.0 | 2 |
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 6.05 | 6.05 | 889.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 3.2 | nM | 8.49 | Kinase Assay : Table 2: The p38 MAPK IC50 values of selected compounds except IM... | - |
| Casein kinase I isoform epsilon | IC50 | = | 295.0 | nM | 6.53 | Kinase Assay : Table 2: The p38 MAPK IC50 values of selected compounds except IM... | - |
| Casein kinase I isoform epsilon | IC50 | = | 295.0 | nM | 6.53 | LanthaScreen Eu Kinase Binding Assay: Table 3: Small molecules were tested for t... | - |
| Casein kinase I isoform delta | IC50 | = | 889.0 | nM | 6.05 | Kinase Assay : Table 2: The p38 MAPK IC50 values of selected compounds except IM... | - |
| Casein kinase I isoform delta | IC50 | = | 889.0 | nM | 6.05 | LanthaScreen Eu Kinase Binding Assay: Table 3: Small molecules were tested for t... | - |
Data from ChEMBL 36 via Core Engine