Compound Detail
CHEMBL3763630
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(Nc1nc2cc(Cl)c(F)cc2[nH]1)c1csc(NC(=O)c2ccccc2OC(F)(F)F)n1
Basic Information
| ChEMBL ID | CHEMBL3763630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOYNTQSZSZMZKH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
499.8
MW (Da)
5.22
ALogP
6
HBA
3
HBD
109.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 7.49 | 7.49 | 32.6 | 1 |
| Casein kinase I isoform delta CHEMBL4484 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform epsilon | IC50 | = | 32.6 | nM | 7.49 | Inhibition of recombinant human CK1epsilon using GST-p53 (1 to 64 residues) as s... | 26771245 |
| Casein kinase I isoform delta | IC50 | = | 42.0 | nM | 7.38 | Inhibition of recombinant rat GST-tagged CK1delta expressed in Escherichia coli ... | 26771245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26771245 | 10.1016/j.ejmech.2015.12.022 | Casein kinase I isoform delta | 1 |
| 26771245 | 10.1016/j.ejmech.2015.12.022 | Casein kinase I isoform epsilon | 1 |
Data from ChEMBL 36 via Core Engine