Compound Detail
CHEMBL4227791
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Basic Information
| ChEMBL ID | CHEMBL4227791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJOIFMZNPPOQBO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.76
ALogP
6
HBA
2
HBD
81.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of human PIM1 | 29559278 |
| Casein kinase II subunit alpha | IC50 | = | 310.0 | nM | 6.51 | Inhibition of recombinant human full length N-terminal His6-tagged CK2alpha expr... | 29559278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29559278 | 10.1016/j.bmcl.2018.03.018 | Casein kinase II subunit alpha | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine