Compound Detail
CHEMBL5722968
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CC(C)Oc1ccc(-c2nn([C@@H](C)c3nc4cccc(F)c4c(=O)n3-c3ccccc3)c3ncnc(N)c23)cc1F
Basic Information
| ChEMBL ID | CHEMBL5722968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZQIOKCGKANUGG-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
553.6
MW (Da)
5.45
ALogP
9
HBA
1
HBD
113.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform epsilon CHEMBL4937 | EC50 | 5.03 | 5.03 | 9362.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform epsilon | EC50 | = | 9362.0 | nM | 5.03 | Inhibition of recombinant human full-length N-terminal GST-tagged CK1epsilon exp... | 27784673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27784673 | 10.1182/blood-2016-08-731240 | Casein kinase I isoform epsilon | 2 |
Data from ChEMBL 36 via Core Engine