Compound Detail
CHEMBL474832
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
COc1cc(Nc2nc(NC3CCCC[C@H]3N)n3nc(-c4cccc(O)c4)nc3c2C(N)=O)cc(OC)c1
Basic Information
| ChEMBL ID | CHEMBL474832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQVIBYQWWUOARA-FIWHBWSRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
3.04
ALogP
11
HBA
5
HBD
174.9
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 7.0 | nM | 8.15 | Inhibition of recombinant Syk | 19254842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19254842 | 10.1016/j.bmcl.2009.02.049 | Tyrosine-protein kinase SYK | 1 |
Data from ChEMBL 36 via Core Engine