Compound Detail
CHEMBL3676304
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CC(C)NC(=O)c1ccc(F)c(-c2nc(C(=O)Nc3cnccc3N3CCC[C@H](N)C3)cs2)c1
Basic Information
| ChEMBL ID | CHEMBL3676304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZAQSGMOAYQDAV-INIZCTEOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
3.66
ALogP
7
HBA
3
HBD
113.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | IC50 | 8.08 | 8.08 | 8.3 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 7.08 | 7.08 | 83.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 3.2 | nM | 8.49 | Depletion Assay: The activity of PIM1 is measured using a luciferase-luciferin b... | - |
| Serine/threonine-protein kinase pim-3 | IC50 | = | 8.3 | nM | 8.08 | Depletion Assay: The activity of PIM3 is measured using a luciferase-luciferin b... | - |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 83.8 | nM | 7.08 | Depletion Assay: The activity of PIM2 is measured using a luciferase-luciferin b... | - |
Data from ChEMBL 36 via Core Engine