Compound Detail
CHEMBL5838825
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C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccc(COc7cccc(C(F)(F)F)c7)cc6)cc5c43)cc21
Basic Information
| ChEMBL ID | CHEMBL5838825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLEBLCGOKPDIHY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
617.6
MW (Da)
7.88
ALogP
5
HBA
0
HBD
64.4
PSA (Ų)
0.14
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 5.97 | 5.97 | 1060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 1060.0 | nM | 5.97 | Binding Assay: DiscoverX binding assays were performed according to published me... | - |
Data from ChEMBL 36 via Core Engine