Compound Detail
CHEMBL5764109
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N#CC[C@]1(n2cc(-c3ncnc4[nH]ccc34)cn2)C[C@H](N2CCN(C(=O)c3ccnc(C(F)(F)F)n3)CC2)C1
Basic Information
| ChEMBL ID | CHEMBL5764109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVEBIMSTUSDJQC-WVQHILGCSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
536.5
MW (Da)
2.86
ALogP
9
HBA
1
HBD
132.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 5.7 | 5.7 | 2000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer | 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 UFO | IC50 | = | 2000.0 | nM | 5.7 | TAM Kinase Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM Mg... | - |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 2000.0 | nM | 5.7 | Kinase Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2,... | - |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 2000.0 | nM | 5.7 | TAM Kinase Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM Mg... | - |
Data from ChEMBL 36 via Core Engine