Compound Detail
CHEMBL6003440
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)N1CCC[C@H]1COc1c(N)ncnc1-c1cc(F)cc(N2CCc3cc(C4CC4)ccc3C2=O)c1CO
Basic Information
| ChEMBL ID | CHEMBL6003440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJMARAVUCXEXPI-QFIPXVFZSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
557.6
MW (Da)
3.99
ALogP
7
HBA
2
HBD
121.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.3 | 9.3 | 0.5 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.5 | nM | 9.3 | Biochemical Enzyme Assay: The inhibitory activity of the present compounds again... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.5 | nM | 9.3 | Inhibition of Btk Enzymatic Activity: The inhibitory activity of the present com... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.5 | nM | 9.3 | Enzymatic Activity Assay: The inhibitory activity of the present compounds again... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.5 | nM | 9.3 | Inhibition of Btk Enzymatic Activity Assay: The inhibitory activity of the prese... | - |
Data from ChEMBL 36 via Core Engine