Compound Detail
CHEMBL3963973
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Cn1cc(-c2ccc3nc(NC(=O)c4cncc(-c5ccccc5)c4)cn3n2)c(-c2ccc(F)cc2)n1
Basic Information
| ChEMBL ID | CHEMBL3963973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJBUTRXXIQJMHS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
5.25
ALogP
7
HBA
1
HBD
90.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 7.57 | 7.57 | 26.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform delta | IC50 | = | 0.5 | nM | 9.3 | Kinase Assay: The kinase assay was performed in V-bottom 384-well plates. The fi... | - |
| Casein kinase I isoform epsilon | IC50 | = | 26.9 | nM | 7.57 | Kinase Assay: The kinase assay was performed in V-bottom 384-well plates. The fi... | - |
Data from ChEMBL 36 via Core Engine