Compound Detail
CHEMBL1231683
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Basic Information
| ChEMBL ID | CHEMBL1231683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBYRUZKRFAIQSR-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
3.05
ALogP
7
HBA
2
HBD
97.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.1 | 7.05 | 8.0 | 2 |
| Casein kinase II CHEMBL2095191 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| DLD-1 CHEMBL614285 | IC50 | 4.85 | 4.85 | 14200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8.0 | nM | 8.1 | Inhibition of CK2 | 22633690 |
| Casein kinase II | IC50 | = | 30.0 | nM | 7.52 | Inhibition of CK2 (unknown origin) | 25912672 |
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of CK2 expressed in HEK293 cells by SRE-luciferase reporter gene assa... | 22633690 |
| Casein kinase II subunit alpha | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of CK2alpha in human HCT116 or human DLD1 cells assessed as decrease ... | 29559278 |
| DLD-1 | IC50 | = | 14200.0 | nM | 4.85 | Antiproliferative activity against human DLD1 cells after 72 hrs by alamar blue ... | 29559278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22633690 | 10.1016/j.bmcl.2012.05.006 | Unchecked | 2 |
| 29559278 | 10.1016/j.bmcl.2018.03.018 | Casein kinase II subunit alpha | 2 |
| 29559278 | 10.1016/j.bmcl.2018.03.018 | Unchecked | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 25912672 | 10.1016/j.ejmech.2015.04.032 | Casein kinase II | 1 |
| 29559278 | 10.1016/j.bmcl.2018.03.018 | DLD-1 | 1 |
| 29559278 | 10.1016/j.bmcl.2018.03.018 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine