Compound Detail
CHEMBL5947642
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CC(O)C1CCN(c2ccc3c(c2)CC(CN)(c2cccc(-c4ncnc5[nH]ccc45)c2)C3)C1
Basic Information
| ChEMBL ID | CHEMBL5947642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQRGYWDYBIUEHT-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
3.83
ALogP
5
HBA
3
HBD
91.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer CHEMBL5331 | 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 | = | 2000.0 | nM | 5.7 | TAM Kinase Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM Mg... | - |
| Tyrosine-protein kinase Mer | IC50 | = | 2000.0 | nM | 5.7 | Kinase Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2,... | - |
| Tyrosine-protein kinase Mer | 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