Compound Detail
CHEMBL3326008
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CCCCN(C)c1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1
Basic Information
| ChEMBL ID | CHEMBL3326008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIVPSHFRGVZOQV-SOAUALDESA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
490.7
MW (Da)
4.56
ALogP
7
HBA
1
HBD
60.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 6.4 | 6.33 | 398.0 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.32 | 6.32 | 483.0 | 1 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 5.4 | 5.4 | 3948.0 | 1 |
| Tyrosine-protein kinase receptor TYRO3 CHEMBL5314 | IC50 | 4.95 | 4.95 | 11108.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer | IC50 | = | 398.0 | nM | 6.4 | Inhibition Assay: Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase acti... | - |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 483.0 | nM | 6.32 | Inhibition Assay: Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase acti... | - |
| Tyrosine-protein kinase Mer | IC50 | = | 550.0 | nM | 6.26 | Inhibition Assay: The ectopic expression of Mer receptor tyrosine kinase (Mer) h... | - |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 3948.0 | nM | 5.4 | Inhibition Assay: Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase acti... | - |
| Tyrosine-protein kinase receptor TYRO3 | IC50 | = | 11108.0 | nM | 4.95 | Inhibition Assay: Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase acti... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25068800 | 10.1021/jm500749d | Tyrosine-protein kinase Mer | 1 |
| 25068800 | 10.1021/jm500749d | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine