Compound Detail
CHEMBL3337847
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Basic Information
| ChEMBL ID | CHEMBL3337847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXESGMYSKDHCFX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.3
MW (Da)
2.54
ALogP
6
HBA
2
HBD
98.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform delta CHEMBL4484 | IC50 | 6.57 | 6.41 | 270.0 | 2 |
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform delta | IC50 | = | 270.0 | nM | 6.57 | Inhibition of rat CK1delta kinetic domain expressed in Escherichia coli using GS... | 25191940 |
| Casein kinase I isoform delta | IC50 | = | 560.0 | nM | 6.25 | Inhibition of GST-tagged rat CK1delta expressed in Escherichia coli using GST-p5... | 25191940 |
| Casein kinase I isoform epsilon | IC50 | = | 990.0 | nM | 6.0 | Inhibition of human recombinant CK1epsilon expressed in Escherichia coli using G... | 25191940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25191940 | 10.1021/jm500600b | Casein kinase I isoform delta | 2 |
| 25191940 | 10.1021/jm500600b | Casein kinase I isoform epsilon | 1 |
| 25191940 | 10.1021/jm500600b | Casein kinase I isoform gamma-3 | 1 |
Data from ChEMBL 36 via Core Engine