Compound Detail
CHEMBL5790831
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CCCNc1ncc2c(-c3ccc(N4CCOCC4)c(F)c3)nc([C@H]3CC[C@@H](O)CC3)n2n1
Basic Information
| ChEMBL ID | CHEMBL5790831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POJDXYBGGAQVBB-MAEOIBBWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
3.61
ALogP
8
HBA
2
HBD
87.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Tyrosine-protein kinase receptor TYRO3 CHEMBL5314 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 300.0 | nM | 6.52 | TAM Enzymatic Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM... | - |
| Tyrosine-protein kinase receptor TYRO3 | IC50 | = | 750.0 | nM | 6.12 | TAM Enzymatic Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM... | - |
Data from ChEMBL 36 via Core Engine