Compound Detail
CHEMBL4105345
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
Basic Information
| ChEMBL ID | CHEMBL4105345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYTYWCMPSPFKER-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4117551 |
| Active Moiety | CHEMBL4117551 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
199.7
MW (Da)
2.59
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 3.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha CHEMBL3629 | Kd | 3.52 | 3.52 | 300000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha | Kd | = | 300000.0 | nM | 3.52 | Binding affinity to CK2alpha (unknown origin) by ITC | 28495381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28495381 | 10.1016/j.bmc.2017.04.037 | Casein kinase II subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine