Compound Detail
CHEMBL4108539
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Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(C4(F)CCOCC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1
Basic Information
| ChEMBL ID | CHEMBL4108539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLSUVFBRBAOFPW-KNKQGSTJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
565.5
MW (Da)
4.64
ALogP
7
HBA
2
HBD
104.3
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 10.8 | 10.8 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.016 | nM | 10.8 | PIM Kinase Binding Assay: LC3K assay: PIM-1, -2, and -3 enzymes were generated a... | - |
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.016 | nM | 10.8 | PIM Kinase Binding Assay: LC3K assay: PIM-1, -2, and -3 enzymes were generated a... | - |
Data from ChEMBL 36 via Core Engine