Compound Detail
CHEMBL5920646
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CCCCNc1ncc2c(-c3ccc(N4CCOCC4)c(F)c3)nc([C@H]3CC[C@H](O)CC3)n2n1
Basic Information
| ChEMBL ID | CHEMBL5920646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHDZKPNYDOJMBN-UAPYVXQJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
4.00
ALogP
8
HBA
2
HBD
87.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 |
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... | - |
Data from ChEMBL 36 via Core Engine