Compound Detail
CHEMBL3700440
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Basic Information
| ChEMBL ID | CHEMBL3700440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKVXKZBOQDBKCI-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
4.05
ALogP
7
HBA
3
HBD
109.3
PSA (Ų)
0.22
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 6.77 | 6.765 | 171.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha | IC50 | = | 171.0 | nM | 6.77 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
| Casein kinase II subunit alpha | IC50 | = | 171.0 | nM | 6.77 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
| Casein kinase II subunit alpha | IC50 | = | 172.0 | nM | 6.76 | Modulation of Endogenous Assay: The human leukemia Jurkat T-cell line was mainta... | - |
| Casein kinase II subunit alpha | IC50 | = | 172.0 | nM | 6.76 | Modulation of Endogenous Assay: The human leukemia Jurkat T-cell line was mainta... | - |
Data from ChEMBL 36 via Core Engine