Compound Detail
CHEMBL3676299
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C[C@H]1C[C@@H](c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C[C@@H](N)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL3676299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANSIRGLMUHWNPB-LBOSBVAVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
3.94
ALogP
6
HBA
3
HBD
101.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 5.0 | nM | 8.3 | Depletion Assay: The activity of PIM1 is measured using a luciferase-luciferin b... | - |
| Serine/threonine-protein kinase pim-3 | IC50 | = | 15.0 | nM | 7.82 | Depletion Assay: The activity of PIM3 is measured using a luciferase-luciferin b... | - |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 46.0 | nM | 7.34 | Depletion Assay: The activity of PIM2 is measured using a luciferase-luciferin b... | - |
Data from ChEMBL 36 via Core Engine