Compound Detail
CHEMBL583187
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL583187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPKYTOHUEMELIK-HNNXBMFYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
3.08
ALogP
6
HBA
3
HBD
89.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.4
Ki 3 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 9.15 | 9.15 | 0.7 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| MV4-11 CHEMBL613835 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
| K562 CHEMBL385 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 | Ki | = | 0.4 | nM | 9.4 | Inhibition of human PIM3 by scintillation counting | 19842661 |
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.7 | nM | 9.15 | Inhibition of human PIM1 by scintillation counting | 19842661 |
| Serine/threonine-protein kinase pim-2 | Ki | = | 2.0 | nM | 8.7 | Inhibition of human PIM2 by scintillation counting | 19842661 |
| Unchecked | EC50 | = | 400.0 | nM | 6.4 | Inhibition of PIM in human K562 cells assessed as phospho-BAD protein levels aft... | 19842661 |
| MV4-11 | EC50 | = | 1300.0 | nM | 5.89 | Antiproliferative activity against human MV4-11 cells after 48 hrs by alamar blu... | 19842661 |
| K562 | EC50 | = | 1400.0 | nM | 5.85 | Antiproliferative activity against human K562 cells after 48 hrs by alamar blue ... | 19842661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19842661 | 10.1021/jm900943h | Unchecked | 4 |
| 19842661 | 10.1021/jm900943h | Ribosomal protein S6 kinase alpha-5 | 1 |
| 19842661 | 10.1021/jm900943h | MV4-11 | 1 |
| 19842661 | 10.1021/jm900943h | K562 | 1 |
| 19842661 | 10.1021/jm900943h | NT-3 growth factor receptor | 1 |
| 19842661 | 10.1021/jm900943h | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 19842661 | 10.1021/jm900943h | Tyrosine-protein kinase SYK | 1 |
| 19842661 | 10.1021/jm900943h | cAMP-dependent protein kinase catalytic subunit PRKX | 1 |
| 19842661 | 10.1021/jm900943h | Lymphokine-activated killer T-cell-originated protein kinase | 1 |
| 19842661 | 10.1021/jm900943h | Ribosomal protein S6 kinase beta-1 | 1 |
| 19842661 | 10.1021/jm900943h | Mitogen-activated protein kinase kinase kinase kinase 4 | 1 |
| 19842661 | 10.1021/jm900943h | Serine/threonine-protein kinase pim-1 | 1 |
| 19842661 | 10.1021/jm900943h | Interleukin-1 receptor-associated kinase 4 | 1 |
| 19842661 | 10.1021/jm900943h | Insulin-like growth factor 1 receptor | 1 |
| 19842661 | 10.1021/jm900943h | Dual specificity protein kinase CLK4 | 1 |
| 19842661 | 10.1021/jm900943h | Cyclin-dependent kinase 2 | 1 |
| 19842661 | 10.1021/jm900943h | Tyrosine-protein kinase BTK | 1 |
| 19842661 | 10.1021/jm900943h | Serine/threonine-protein kinase pim-3 | 1 |
| 19842661 | 10.1021/jm900943h | Serine/threonine-protein kinase pim-2 | 1 |
Data from ChEMBL 36 via Core Engine