Compound Detail
CHEMBL5844346
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C=CC(=O)N1CCC[C@@H](Nc2nc(Nc3ccc(OCCCOC4(CC)OCC(C)(C)CO4)cc3)ncc2F)C1
Basic Information
| ChEMBL ID | CHEMBL5844346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXLWVIKZQSUVIQ-JOCHJYFZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
557.7
MW (Da)
4.87
ALogP
9
HBA
2
HBD
107.1
PSA (Ų)
0.28
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 100.0 | nM | 7.0 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 100.0 | nM | 7.0 | Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases... | - |
Data from ChEMBL 36 via Core Engine