Compound Detail
CHEMBL4439686
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Basic Information
| ChEMBL ID | CHEMBL4439686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIYHCLSRFWAFPP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
424.4
MW (Da)
6.43
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 5.16 | 5.16 | 7000.0 | 2 |
| Casein kinase 2 CHEMBL3832943 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of CK2alpha (unknown origin) using RRRADDSDDDD substrate incubated fo... | 30689946 |
| Casein kinase II subunit alpha | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of CK2alpha (unknown origin) incubated for 40 mins by ADP-Glo kinase ... | 30689953 |
| Casein kinase 2 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of CK2 (unknown origin) | 36745746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30689946 | 10.1021/acs.jmedchem.8b01765 | Casein kinase II subunit alpha | 1 |
| 30689953 | 10.1021/acs.jmedchem.8b01766 | Casein kinase II subunit alpha | 1 |
| 36745746 | 10.1021/acs.jmedchem.2c01523 | Casein kinase 2 | 1 |
| 36745746 | 10.1021/acs.jmedchem.2c01523 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine