Compound Detail
CHEMBL5303421
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Basic Information
| ChEMBL ID | CHEMBL5303421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUQAFIILJICJRR-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
6.24
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 7.82 | 7.82 | 15.0 | 2 |
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 7.8 | 7.8 | 16.0 | 2 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform delta | IC50 | = | 15.0 | nM | 7.82 | Kinase Assay : Table 2: The p38 MAPK IC50 values of selected compounds except IM... | - |
| Casein kinase I isoform delta | IC50 | = | 15.0 | nM | 7.82 | LanthaScreen Eu Kinase Binding Assay: Table 3: Small molecules were tested for t... | - |
| Casein kinase I isoform epsilon | IC50 | = | 16.0 | nM | 7.8 | Kinase Assay : Table 2: The p38 MAPK IC50 values of selected compounds except IM... | - |
| Casein kinase I isoform epsilon | IC50 | = | 16.0 | nM | 7.8 | LanthaScreen Eu Kinase Binding Assay: Table 3: Small molecules were tested for t... | - |
| Mitogen-activated protein kinase 14 | IC50 | = | 73.0 | nM | 7.14 | Kinase Assay : Table 2: The p38 MAPK IC50 values of selected compounds except IM... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | HEK-293T | 8 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 7 |
| - | 10.6019/CHEMBL5303304 | U2OS | 2 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5308504 | Peregrin | 1 |
| - | 10.6019/CHEMBL5308504 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5308504 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine