Compound Detail
CHEMBL1652714
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Basic Information
| ChEMBL ID | CHEMBL1652714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YITYPCHIVQKNBR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
2.30
ALogP
5
HBA
2
HBD
79.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II CHEMBL2095191 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 5.55 | 5.55 | 2800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of human recombinant CK2 assessed as inhibition of [gamma33P]ATP inco... | 21174434 |
| Casein kinase II subunit alpha | IC50 | = | 2800.0 | nM | 5.55 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
| Casein kinase II subunit alpha | IC50 | = | 2800.0 | nM | 5.55 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21174434 | 10.1021/jm101251q | Poly [ADP-ribose] polymerase 1 | 2 |
| 21174434 | 10.1021/jm101251q | Casein kinase II | 1 |
Data from ChEMBL 36 via Core Engine