Compound Detail
CHEMBL5855696
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CCCCNc1ncc2c(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)cn(C3CCC(N)CC3)c2n1
Basic Information
| ChEMBL ID | CHEMBL5855696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISOYAPPKZDNVQA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
530.7
MW (Da)
3.91
ALogP
8
HBA
2
HBD
115.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 9.14 | 9.14 | 0.7 | 1 |
| Tyrosine-protein kinase receptor TYRO3 CHEMBL5314 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer | IC50 | = | 0.73 | nM | 9.14 | Inhibition Assay: Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase acti... | - |
| Tyrosine-protein kinase receptor TYRO3 | IC50 | = | 11.0 | nM | 7.96 | Inhibition Assay: Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase acti... | - |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 23.0 | nM | 7.64 | Inhibition Assay: Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase acti... | - |
Data from ChEMBL 36 via Core Engine