Compound Detail
CHEMBL3809623
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Basic Information
| ChEMBL ID | CHEMBL3809623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXTNSWUVLITLAJ-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.43
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 8.77 | 8.735 | 1.7 | 2 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 8.52 | 8.5133 | 3.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-2 | IC50 | = | 1.7 | nM | 8.77 | Homogeneous Time Resolved Fluorescence Assay (HTRF): The assay for the determina... | - |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human full-length Pim2 expressed in Escherichia coli assessed as p... | 27096050 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human full-length Pim1 expressed in Escherichia coli assessed as p... | 27096050 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 3.1 | nM | 8.51 | Homogeneous Time Resolved Fluorescence Assay (HTRF): The assay for the determina... | - |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 3.1 | nM | 8.51 | Homogeneous Time Resolved Fluorescence Assay (HTRF): The assay for the determina... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27096050 | 10.1021/acsmedchemlett.5b00403 | Serine/threonine-protein kinase pim-1 | 1 |
| 27096050 | 10.1021/acsmedchemlett.5b00403 | Serine/threonine-protein kinase pim-2 | 1 |
Data from ChEMBL 36 via Core Engine