Compound Detail
CHEMBL1957195
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Basic Information
| ChEMBL ID | CHEMBL1957195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJLBSEXBGWXECU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
4.21
ALogP
3
HBA
0
HBD
39.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II alpha/beta CHEMBL3038477 | IC50 | 5.84 | 5.84 | 1440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II alpha/beta | IC50 | = | 1440.0 | nM | 5.84 | Inhibition of human CSNK2A1/2B expressed in Escherichia coli BL21(DE3) using RRR... | 22377675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22377675 | 10.1016/j.bmc.2012.02.017 | Casein kinase II alpha/beta | 2 |
Data from ChEMBL 36 via Core Engine