Compound Detail
CHEMBL4208290
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O=C(CSc1nc2c(c(=O)n1Cc1cccc(C(F)(F)F)c1)SCC2)Nc1nc2ccc(C(F)(F)F)cc2s1
Basic Information
| ChEMBL ID | CHEMBL4208290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTERNXYBSXTNET-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
602.6
MW (Da)
6.32
ALogP
8
HBA
1
HBD
76.9
PSA (Ų)
0.16
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform delta CHEMBL4484 | IC50 | 5.99 | 5.99 | 1030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform delta | IC50 | = | 1030.0 | nM | 5.99 | Inhibition of full-length rat GST-tagged CK1delta using alpha-casein as substrat... | 29630366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29630366 | 10.1021/acs.jmedchem.8b00095 | Casein kinase I isoform delta | 3 |
| 29630366 | 10.1021/acs.jmedchem.8b00095 | Casein kinase I isoform epsilon | 1 |
| 29630366 | 10.1021/acs.jmedchem.8b00095 | Casein kinase I isoform alpha | 1 |
| 29630366 | 10.1021/acs.jmedchem.8b00095 | Casein kinase I isoform gamma-3 | 1 |
Data from ChEMBL 36 via Core Engine