Compound Detail
CHEMBL5927613
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CC(C)(C)C(=O)Nc1cc(C(=O)Nc2cn3nc(-c4c(-c5ccc(F)cc5)nc5ccccn45)ccc3n2)ccn1
Basic Information
| ChEMBL ID | CHEMBL5927613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCPVJLLLIHWAPF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
548.6
MW (Da)
5.48
ALogP
8
HBA
2
HBD
118.6
PSA (Ų)
0.29
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 10.02 | 10.02 | 0.1 | 1 |
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 8.97 | 8.97 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform delta | IC50 | = | 0.096 | nM | 10.02 | Kinase Assay: The kinase assay was performed in V-bottom 384-well plates. The fi... | - |
| Casein kinase I isoform epsilon | IC50 | = | 1.06 | nM | 8.97 | Kinase Assay: The kinase assay was performed in V-bottom 384-well plates. The fi... | - |
Data from ChEMBL 36 via Core Engine