Compound Detail
CHEMBL5182545
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Basic Information
| ChEMBL ID | CHEMBL5182545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QACQAFBNLMBTBY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
286.7
MW (Da)
2.17
ALogP
7
HBA
1
HBD
95.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 5.68 | 5.68 | 2070.0 | 1 |
| Casein kinase I isoform alpha CHEMBL2793 | IC50 | 5.54 | 5.54 | 2920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform delta | IC50 | = | 430.0 | nM | 6.37 | Inhibition of CK1delta (unknown origin) | 36346705 |
| Casein kinase I isoform epsilon | IC50 | = | 2070.0 | nM | 5.68 | Inhibition of CK1epsilon (unknown origin) | 36346705 |
| Casein kinase I isoform alpha | IC50 | = | 2920.0 | nM | 5.54 | Inhibition of CK1alpha (unknown origin) | 36346705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36346705 | 10.1021/acs.jmedchem.2c01199 | C2C12 | 2 |
| 36346705 | 10.1021/acs.jmedchem.2c01199 | Casein kinase I isoform delta | 1 |
| 36346705 | 10.1021/acs.jmedchem.2c01199 | Casein kinase I isoform epsilon | 1 |
| 36346705 | 10.1021/acs.jmedchem.2c01199 | Casein kinase I isoform alpha | 1 |
| 36346705 | 10.1021/acs.jmedchem.2c01199 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 36346705 | 10.1021/acs.jmedchem.2c01199 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 36346705 | 10.1021/acs.jmedchem.2c01199 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 36346705 | 10.1021/acs.jmedchem.2c01199 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 36346705 | 10.1021/acs.jmedchem.2c01199 | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 1 |
| 36346705 | 10.1021/acs.jmedchem.2c01199 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine