Compound Detail
CHEMBL5784553
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=CC(=O)N[C@@H](C)COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C
Basic Information
| ChEMBL ID | CHEMBL5784553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTUJVUIDYMFIAW-AWEZNQCLSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
507.5
MW (Da)
4.51
ALogP
6
HBA
3
HBD
119.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.3 | 8.3 | 5.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 5.0 | nM | 8.3 | Biochemical Enzyme Assay: The inhibitory activity of the present compounds again... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 5.0 | nM | 8.3 | Inhibition of Btk Enzymatic Activity: The inhibitory activity of the present com... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 5.0 | nM | 8.3 | Enzymatic Activity Assay: The inhibitory activity of the present compounds again... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 5.0 | nM | 8.3 | Inhibition of Btk Enzymatic Activity Assay: The inhibitory activity of the prese... | - |
Data from ChEMBL 36 via Core Engine