Compound Detail
CHEMBL571142
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COc1ccc(/C=C/C(=O)Nc2cc(-c3c(-c4ccc(F)cc4)noc3C(C)C)ccn2)c(OC)c1
Basic Information
| ChEMBL ID | CHEMBL571142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSYSAQACEYOOEZ-XYOKQWHBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
487.5
MW (Da)
6.34
ALogP
6
HBA
1
HBD
86.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| Casein kinase I isoform delta CHEMBL4484 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.6 | 5.6 | 2520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform delta | IC50 | = | 33.0 | nM | 7.48 | Inhibition of recombinant CK1delta kinase domain by Cherenkov counting | 19591487 |
| Casein kinase I isoform delta | IC50 | = | 47.0 | nM | 7.33 | Inhibition of GST-fused rat CK1delta by Cherenkov counting in presence of 20 uM ... | 19591487 |
| Mitogen-activated protein kinase 14 | IC50 | = | 2520.0 | nM | 5.6 | Inhibition of p38alpha by Cherenkov counting | 19591487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19591487 | 10.1021/jm9005127 | Molecular identity unknown | 4 |
| 19591487 | 10.1021/jm9005127 | Casein kinase I isoform delta | 2 |
| 19591487 | 10.1021/jm9005127 | Mitogen-activated protein kinase 14 | 1 |
| 19591487 | 10.1021/jm9005127 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine