Compound Detail
CHEMBL6042505
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CCCCNc1ncc2c(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)cn([C@H]3CC[C@H](O)CC3)c2n1
Basic Information
| ChEMBL ID | CHEMBL6042505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEFDEIILCRXHNC-MXVIHJGJSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
531.6
MW (Da)
3.95
ALogP
8
HBA
2
HBD
109.6
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Tyrosine-protein kinase receptor TYRO3 CHEMBL5314 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer | IC50 | = | 1.1 | nM | 8.96 | Inhibition Assay: Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase acti... | - |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 1.6 | nM | 8.8 | Inhibition Assay: Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase acti... | - |
| Tyrosine-protein kinase receptor TYRO3 | IC50 | = | 57.0 | nM | 7.24 | Inhibition Assay: Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase acti... | - |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 67.0 | nM | 7.17 | Inhibition Assay: Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase acti... | - |
Data from ChEMBL 36 via Core Engine