Compound Detail
CHEMBL3696944
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Basic Information
| ChEMBL ID | CHEMBL3696944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNBQKJSMQWRTEK-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
240.2
MW (Da)
1.77
ALogP
3
HBA
2
HBD
83.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.75
Kd 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha CHEMBL3629 | Kd | 8.05 | 8.05 | 8.9 | 2 |
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 6.75 | 6.75 | 180.0 | 2 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha | Kd | = | 8.9 | nM | 8.05 | Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) ... | 28274673 |
| Casein kinase II subunit alpha | Kd | = | 8.913 | nM | 8.05 | Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) ... | 28274673 |
| Casein kinase II subunit alpha | IC50 | = | 180.0 | nM | 6.75 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
| Casein kinase II subunit alpha | IC50 | = | 180.0 | nM | 6.75 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 1000.0 | nM | 6.0 | Chemiluminescent PARP Assay: PARP assays are conducted using a chemiluminescent ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28274673 | 10.1016/j.bmc.2017.02.055 | Casein kinase II subunit alpha | 2 |
Data from ChEMBL 36 via Core Engine