Compound Detail
CHEMBL4846181
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Basic Information
| ChEMBL ID | CHEMBL4846181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLQAXJLRZBEXQO-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
341.3
MW (Da)
3.49
ALogP
6
HBA
2
HBD
111.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.18
Ki 1 meas. best 9.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase 2 CHEMBL3832943 | Ki | 9.38 | 9.38 | 0.4 | 1 |
| Casein kinase II subunit alpha' CHEMBL4070 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.01 | 5.01 | 9800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase 2 | Ki | = | 0.42 | nM | 9.38 | Inhibition of CK2 (unknown origin) | 33834781 |
| Casein kinase II subunit alpha' | IC50 | = | 66.0 | nM | 7.18 | Inhibition of C-terminal Nano-Luc fused human CK2alpha' expressed in HEK293 cell... | 37077385 |
| Casein kinase II subunit alpha | IC50 | = | 350.0 | nM | 6.46 | Inhibition of C-terminal Nano-Luc fused human CK2alpha expressed in HEK293 cells... | 37077385 |
| MDA-MB-231 | IC50 | = | 9800.0 | nM | 5.01 | Anticancer activity against human MDA-MB-231 cells assessed as inhibition of cel... | 37077385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37077385 | 10.1021/acsmedchemlett.2c00530 | Unchecked | 9 |
| 37077385 | 10.1021/acsmedchemlett.2c00530 | L-363 | 3 |
| 37077385 | 10.1021/acsmedchemlett.2c00530 | Casein kinase II subunit alpha | 2 |
| 37077385 | 10.1021/acsmedchemlett.2c00530 | Casein kinase II subunit alpha' | 2 |
| 37077385 | 10.1021/acsmedchemlett.2c00530 | MDA-MB-231 | 2 |
| 37077385 | 10.1021/acsmedchemlett.2c00530 | AMO1 | 2 |
| 33834781 | 10.1021/acs.jmedchem.1c00131 | Casein kinase 2 | 1 |
| 37077385 | 10.1021/acsmedchemlett.2c00530 | No relevant target | 1 |
| 37077385 | 10.1021/acsmedchemlett.2c00530 | JJN-3 | 1 |
Data from ChEMBL 36 via Core Engine