Compound Detail
CHEMBL4217692
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)c1ccc(C(=O)Nc2cccc(-c3ccnc(Nc4ccc5cn[nH]c5c4)n3)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL4217692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXXMEQUDGYEZAI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
6.31
ALogP
5
HBA
3
HBD
95.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 360.0 | nM | 6.44 | Inhibition of SYK (unknown origin) using FITC-labeled Blk/Lyntide substrate and ... | 29198867 |
| Tyrosine-protein kinase BTK | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of BTK (unknown origin) using FITC-labeled Srctide substrate and ATP ... | 29198867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29198867 | 10.1016/j.bmcl.2017.11.037 | Tyrosine-protein kinase BTK | 1 |
| 29198867 | 10.1016/j.bmcl.2017.11.037 | Tyrosine-protein kinase SYK | 1 |
Data from ChEMBL 36 via Core Engine