Compound Detail
CHEMBL2203556
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Basic Information
| ChEMBL ID | CHEMBL2203556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEEOFKPCOCGLAA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
2.51
ALogP
5
HBA
3
HBD
91.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform gamma-2 CHEMBL2543 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Casein kinase I isoform alpha CHEMBL2793 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform gamma-2 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate ... | 24900428 |
| Glycogen synthase kinase-3 beta | IC50 | = | 16.0 | nM | 7.8 | Inhibition of GSK3beta | 24900428 |
| Casein kinase I isoform delta | IC50 | = | 22.0 | nM | 7.66 | Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in... | 24900428 |
| Casein kinase I isoform alpha | IC50 | = | 54.0 | nM | 7.27 | Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in... | 24900428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900428 | 10.1021/ml300278f | Glycogen synthase kinase-3 beta | 1 |
| 24900428 | 10.1021/ml300278f | Casein kinase I isoform delta | 1 |
| 24900428 | 10.1021/ml300278f | Casein kinase I isoform alpha | 1 |
| 24900428 | 10.1021/ml300278f | Casein kinase I isoform gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine