Compound Detail
CHEMBL4089903
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Basic Information
| ChEMBL ID | CHEMBL4089903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXRVSDWZOBXZMA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4117419 |
| Active Moiety | CHEMBL4117419 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
217.7
MW (Da)
3.47
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 3.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha CHEMBL3629 | Kd | 3.57 | 3.57 | 270000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha | Kd | = | 270000.0 | nM | 3.57 | 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