Compound Detail
CHEMBL5192152
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
CC(C)(C)CN1CCN(Cc2ccc(-c3ccnc(Nc4cnn(CCO)c4)n3)cc2C(F)(F)F)C(=O)C1
Basic Information
| ChEMBL ID | CHEMBL5192152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFIXNAQCUHGCOB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
531.6
MW (Da)
3.79
ALogP
8
HBA
2
HBD
99.4
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.4 | 7.86 | 0.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.4 | nM | 9.4 | Inhibition of BTK (unknown origin) | 35041943 |
| Tyrosine-protein kinase BTK | IC50 | = | 480.0 | nM | 6.32 | Inhibition of pBTK in human whole blood | 35041943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35041943 | 10.1016/j.bmcl.2022.128549 | Tyrosine-protein kinase BTK | 2 |
Data from ChEMBL 36 via Core Engine