Compound Detail
CHEMBL572781
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Basic Information
| ChEMBL ID | CHEMBL572781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVEDMOLIJBWGQX-HNNXBMFYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
3.37
ALogP
5
HBA
2
HBD
69.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.52
EC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | Ki | 9.52 | 9.52 | 0.3 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| K562 CHEMBL385 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| MV4-11 CHEMBL613835 | EC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 | Ki | = | 0.3 | nM | 9.52 | 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 | = | 10.0 | nM | 8.0 | Inhibition of human PIM2 by scintillation counting | 19842661 |
| K562 | EC50 | = | 400.0 | nM | 6.4 | Antiproliferative activity against human K562 cells after 48 hrs by alamar blue ... | 19842661 |
| MV4-11 | EC50 | = | 5600.0 | nM | 5.25 | Antiproliferative activity against human MV4-11 cells after 48 hrs by alamar blu... | 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 |
| 19842661 | 10.1021/jm900943h | K562 | 1 |
| 19842661 | 10.1021/jm900943h | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine