Compound Detail
CHEMBL4129891
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Basic Information
| ChEMBL ID | CHEMBL4129891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLIRZAJMWQYPLA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
4.40
ALogP
4
HBA
2
HBD
56.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 5.79 | 5.79 | 1620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of PIM1 (unknown origin) | 29871845 |
| Serine/threonine-protein kinase pim-3 | IC50 | = | 82.0 | nM | 7.09 | Inhibition of PIM3 (unknown origin) | 29871845 |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 1620.0 | nM | 5.79 | Inhibition of PIM2 (unknown origin) | 29871845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29871845 | 10.1016/j.bmcl.2018.05.054 | Serine/threonine-protein kinase pim-1 | 1 |
| 29871845 | 10.1016/j.bmcl.2018.05.054 | Serine/threonine-protein kinase pim-2 | 1 |
| 29871845 | 10.1016/j.bmcl.2018.05.054 | Serine/threonine-protein kinase pim-3 | 1 |
Data from ChEMBL 36 via Core Engine