Compound Detail
CHEMBL5947599
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
Cc1c(NC(=O)c2ccc(C3CC3)cc2F)cc(F)cc1-c1ncnc(N)c1OCCN(C)C(=O)C1CO1
Basic Information
| ChEMBL ID | CHEMBL5947599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFUQKYYJMUPMTI-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
523.5
MW (Da)
3.68
ALogP
7
HBA
2
HBD
123.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.0 | 8.0 | 10.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 10.0 | nM | 8.0 | Biochemical Enzyme Assay: The inhibitory activity of the present compounds again... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Btk Enzymatic Activity: The inhibitory activity of the present com... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 10.0 | nM | 8.0 | Enzymatic Activity Assay: The inhibitory activity of the present compounds again... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Btk Enzymatic Activity Assay: The inhibitory activity of the prese... | - |
Data from ChEMBL 36 via Core Engine