Compound Detail
CHEMBL5722975
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CC[C@@H](c1nc2cccc(F)c2c(=O)n1-c1ccccc1)n1nc(-c2ccc(OC(C)C)c(F)c2)c2c(N)ncnc21
Basic Information
| ChEMBL ID | CHEMBL5722975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMGAYEPMDQPJSO-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
567.6
MW (Da)
5.84
ALogP
9
HBA
1
HBD
113.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform epsilon CHEMBL4937 | EC50 | 4.09 | 4.09 | 81180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform epsilon | EC50 | = | 81180.0 | nM | 4.09 | 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