Compound Detail
CHEMBL3353421
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Basic Information
| ChEMBL ID | CHEMBL3353421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJIRSMPRRGVXEY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
4.05
ALogP
3
HBA
0
HBD
39.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II CHEMBL2095191 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II | IC50 | = | 9200.0 | nM | 5.04 | Inhibition of human recombinant CK2a1/CK2b holoenzyme expressed in Escherichia c... | 25272055 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduc... | 25272055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25272055 | 10.1021/jm500943z | Casein kinase II | 2 |
| 25272055 | 10.1021/jm500943z | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 25272055 | 10.1021/jm500943z | Unchecked | 1 |
| 25272055 | 10.1021/jm500943z | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine