Compound Detail
CHEMBL1957203
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Basic Information
| ChEMBL ID | CHEMBL1957203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYINNZZVYRVTCS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
4.51
ALogP
3
HBA
0
HBD
39.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Casein kinase II CHEMBL2095191 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduc... | 25272055 |
| Casein kinase II | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of human recombinant CK2a1/CK2b holoenzyme expressed in Escherichia c... | 25272055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22377675 | 10.1016/j.bmc.2012.02.017 | Casein kinase II alpha/beta | 2 |
| 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