Compound Detail
CHEMBL3700414
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Basic Information
| ChEMBL ID | CHEMBL3700414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAOUTLGAKBJSDP-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
391.8
MW (Da)
4.50
ALogP
6
HBA
2
HBD
92.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 7.28 | 6.97 | 52.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha | IC50 | = | 52.0 | nM | 7.28 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
| Casein kinase II subunit alpha | IC50 | = | 52.0 | nM | 7.28 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
| Casein kinase II subunit alpha | IC50 | = | 220.0 | nM | 6.66 | Modulation of Endogenous Assay: The human leukemia Jurkat T-cell line was mainta... | - |
| Casein kinase II subunit alpha | IC50 | = | 220.0 | nM | 6.66 | Modulation of Endogenous Assay: The human leukemia Jurkat T-cell line was mainta... | - |
Data from ChEMBL 36 via Core Engine