Compound Detail
CHEMBL585182
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Basic Information
| ChEMBL ID | CHEMBL585182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJNOYUGDEFSKQL-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
10
PK Parameters
13
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
3.57
ALogP
5
HBA
2
HBD
69.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.3
Ki 3 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
| K562 CHEMBL385 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
| MV4-11 CHEMBL613835 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 386.57 | ng.hr.mL-1 | Mus musculus |
| AUC | 984.0 | ng.hr.mL-1 | Mus musculus |
| CL | 130.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 520.0 | nM | Mus musculus |
| F | 76.0 | % | Mus musculus |
| T1/2 | 2.1 | hr | Mus musculus |
| T1/2 | 0.8 | hr | Mus musculus |
| T1/2 | 1.0 | hr | Homo sapiens |
| Tmax | 0.3 | hr | Mus musculus |
| Vd | 23.5 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 | Ki | = | 0.5 | nM | 9.3 | Inhibition of human PIM3 by scintillation counting | 19842661 |
| Serine/threonine-protein kinase pim-1 | Ki | = | 2.0 | nM | 8.7 | Inhibition of human PIM1 by scintillation counting | 19842661 |
| Serine/threonine-protein kinase pim-2 | Ki | = | 3.0 | nM | 8.52 | Inhibition of human PIM2 by scintillation counting | 19842661 |
| Unchecked | EC50 | = | 500.0 | nM | 6.3 | Inhibition of PIM in human K562 cells assessed as phospho-BAD protein levels aft... | 19842661 |
| K562 | EC50 | = | 1700.0 | nM | 5.77 | Antiproliferative activity against human K562 cells after 48 hrs by alamar blue ... | 19842661 |
| MV4-11 | EC50 | = | 2400.0 | nM | 5.62 | 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 | Mus musculus | 8 |
| 19842661 | 10.1021/jm900943h | Unchecked | 2 |
| 19842661 | 10.1021/jm900943h | Plasma | 2 |
| 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 |
| 19842661 | 10.1021/jm900943h | ADMET | 1 |
| 19842661 | 10.1021/jm900943h | Liver microsomes | 1 |
| 19842661 | 10.1021/jm900943h | Cytochrome P450 2C9 | 1 |
| 19842661 | 10.1021/jm900943h | Cytochrome P450 2D6 | 1 |
| 19842661 | 10.1021/jm900943h | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine