Compound Detail
CHEMBL5409996
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Basic Information
| ChEMBL ID | CHEMBL5409996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITHBHDXBAMEOLG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
513.5
MW (Da)
3.97
ALogP
9
HBA
2
HBD
109.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform epsilon | IC50 | = | 180.0 | nM | 6.75 | Inhibition of CK1epsilon (unknown origin) | 37204207 |
| Casein kinase I isoform delta | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of CK1delta (unknown origin) using Light-TopoIla(Thr1342) peptide as ... | 37204207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37204207 | 10.1021/acs.jmedchem.2c01180 | Casein kinase I isoform epsilon | 1 |
| 37204207 | 10.1021/acs.jmedchem.2c01180 | Casein kinase I isoform delta | 1 |
| 37204207 | 10.1021/acs.jmedchem.2c01180 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine