Compound Detail
CHEMBL582844
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Basic Information
| ChEMBL ID | CHEMBL582844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDTJUEGCVWKCSA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
369.9
MW (Da)
4.52
ALogP
4
HBA
1
HBD
49.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | Ki | 9.15 | 9.15 | 0.7 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | Ki | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 | Ki | = | 0.7 | nM | 9.15 | Inhibition of human PIM3 by scintillation counting | 19842661 |
| Serine/threonine-protein kinase pim-1 | Ki | = | 3.0 | nM | 8.52 | Inhibition of human PIM1 by scintillation counting | 19842661 |
| Serine/threonine-protein kinase pim-2 | Ki | = | 13.0 | nM | 7.89 | Inhibition of human PIM2 by scintillation counting | 19842661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19842661 | 10.1021/jm900943h | Serine/threonine-protein kinase pim-1 | 1 |
| 19842661 | 10.1021/jm900943h | Serine/threonine-protein kinase pim-2 | 1 |
| 19842661 | 10.1021/jm900943h | Serine/threonine-protein kinase pim-3 | 1 |
Data from ChEMBL 36 via Core Engine