Compound Detail
CHEMBL3809463
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Basic Information
| ChEMBL ID | CHEMBL3809463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMKDKOFQQMLFPP-JDGPPOGSSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
3.13
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Serine/threonine-protein kinase PIM CHEMBL3559682 | IC50 | 6.97 | 6.97 | 106.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-2 | IC50 | = | 0.5 | nM | 9.3 | Inhibition of human full-length Pim2 expressed in Escherichia coli assessed as p... | 27096050 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human full-length Pim1 expressed in Escherichia coli assessed as p... | 27096050 |
| Serine/threonine-protein kinase PIM | IC50 | = | 106.0 | nM | 6.97 | Inhibition of Pim1/2 in human KMS-12-BM cells assessed as phosphorylation of ful... | 27096050 |
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 |
| 27096050 | 10.1021/acsmedchemlett.5b00403 | Serine/threonine-protein kinase PIM | 1 |
| 27096050 | 10.1021/acsmedchemlett.5b00403 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine