Compound Detail
CHEMBL1652739
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Basic Information
| ChEMBL ID | CHEMBL1652739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABSTXYYZSHRIPC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
407.4
MW (Da)
6.02
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II CHEMBL2095191 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human recombinant CK2 assessed as inhibition of [gamma33P]ATP inco... | 21174434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21174434 | 10.1021/jm101251q | Casein kinase II | 1 |
Data from ChEMBL 36 via Core Engine