Compound Detail
CHEMBL3700450
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Basic Information
| ChEMBL ID | CHEMBL3700450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXBPEELBEDSRKH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
437.8
MW (Da)
4.16
ALogP
7
HBA
4
HBD
137.3
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 7.68 | 7.68 | 21.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha | IC50 | = | 21.0 | nM | 7.68 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
| Casein kinase II subunit alpha | IC50 | = | 21.0 | nM | 7.68 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
Data from ChEMBL 36 via Core Engine