Compound Detail
CHEMBL5909081
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CCCCNc1ncc2c(-c3ccc(S(=O)(=O)N4CC(F)(F)C4)cc3)cn(C3CCC(O)CC3)c2n1
Basic Information
| ChEMBL ID | CHEMBL5909081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZHCQBXYACZHPJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
519.6
MW (Da)
4.43
ALogP
7
HBA
2
HBD
100.3
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Tyrosine-protein kinase receptor TYRO3 CHEMBL5314 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer | IC50 | = | 1.4 | nM | 8.85 | Inhibition Assay: Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase acti... | - |
| Tyrosine-protein kinase receptor TYRO3 | IC50 | = | 31.0 | nM | 7.51 | Inhibition Assay: Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase acti... | - |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 38.0 | nM | 7.42 | Inhibition Assay: Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase acti... | - |
Data from ChEMBL 36 via Core Engine