Compound Detail
CHEMBL4228363
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Basic Information
| ChEMBL ID | CHEMBL4228363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNHQJXHYQWLGFE-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
3.40
ALogP
7
HBA
2
HBD
105.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 8.15 | 7.075 | 7.0 | 2 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
| DLD-1 CHEMBL614285 | IC50 | 4.92 | 4.92 | 12100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha | IC50 | = | 7.0 | nM | 8.15 | Inhibition of recombinant human full length N-terminal His6-tagged CK2alpha expr... | 29559278 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 630.0 | nM | 6.2 | Inhibition of human PIM1 | 29559278 |
| Casein kinase II subunit alpha | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of CK2alpha in human HCT116 or human DLD1 cells assessed as decrease ... | 29559278 |
| HCT-116 | IC50 | = | 6300.0 | nM | 5.2 | Antiproliferative activity against human HCT116 cells after 72 hrs by alamar blu... | 29559278 |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 6900.0 | nM | 5.16 | Inhibition of human PIM2 | 29559278 |
| DLD-1 | IC50 | = | 12100.0 | nM | 4.92 | Antiproliferative activity against human DLD1 cells after 72 hrs by alamar blue ... | 29559278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29559278 | 10.1016/j.bmcl.2018.03.018 | Casein kinase II subunit alpha | 3 |
| 29559278 | 10.1016/j.bmcl.2018.03.018 | Unchecked | 2 |
| 29559278 | 10.1016/j.bmcl.2018.03.018 | Serine/threonine-protein kinase pim-1 | 1 |
| 29559278 | 10.1016/j.bmcl.2018.03.018 | Serine/threonine-protein kinase pim-2 | 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