Compound Detail
CHEMBL3264256
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Basic Information
| ChEMBL ID | CHEMBL3264256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXHZPRIZADWWCX-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
3.77
ALogP
7
HBA
2
HBD
105.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.82
IC50 3 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 7.46 | 7.46 | 34.5 | 1 |
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | IC50 | 7.25 | 7.25 | 55.7 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.82 | 5.39 | 1500.0 | 2 |
| K562 CHEMBL385 | EC50 | 4.86 | 4.86 | 13700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 34.5 | nM | 7.46 | Inhibition of PIM1 kinase (unknown origin) using 5-FAM-labeled BAD peptide as su... | 24775304 |
| Serine/threonine-protein kinase pim-3 | IC50 | = | 55.7 | nM | 7.25 | Inhibition of PIM3 kinase (unknown origin) using 5-FAM-labeled BAD peptide as su... | 24775304 |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 660.0 | nM | 6.18 | Inhibition of PIM2 kinase (unknown origin) using 5-FAM-labeled BAD peptide as su... | 24775304 |
| NON-PROTEIN TARGET | EC50 | = | 1500.0 | nM | 5.82 | Antiproliferative activity against human MV411 cells assessed as cell viability ... | 24775304 |
| NON-PROTEIN TARGET | EC50 | = | 10900.0 | nM | 4.96 | Antiproliferative activity against human Jurkat E6-1 cells assessed as cell viab... | 24775304 |
| K562 | EC50 | = | 13700.0 | nM | 4.86 | Antiproliferative activity against human K562 cells assessed as cell viability a... | 24775304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24775304 | 10.1016/j.bmcl.2014.04.035 | NON-PROTEIN TARGET | 2 |
| 24775304 | 10.1016/j.bmcl.2014.04.035 | Serine/threonine-protein kinase pim-1 | 1 |
| 24775304 | 10.1016/j.bmcl.2014.04.035 | Serine/threonine-protein kinase pim-2 | 1 |
| 24775304 | 10.1016/j.bmcl.2014.04.035 | Serine/threonine-protein kinase pim-3 | 1 |
| 24775304 | 10.1016/j.bmcl.2014.04.035 | K562 | 1 |
Data from ChEMBL 36 via Core Engine