Compound Detail
CHEMBL8682
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
Basic Information
| ChEMBL ID | CHEMBL8682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCMUCRMMVDSVEL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
224.2
MW (Da)
0.41
ALogP
4
HBA
2
HBD
109.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.62
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Fyn CHEMBL1841 | Kd | 6.62 | 6.62 | 240.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | Kd | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Fyn | Kd | = | 240.0 | nM | 6.62 | Dissociation constant for binding to SH2 domain of Fyn protein kinase | 10072676 |
| Tyrosine-protein kinase Lck | Kd | = | 290.0 | nM | 6.54 | Dissociation constant for binding to SH2 domain of p56 lck tyrosine kinase | 10072676 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18952446 | 10.1016/j.bmc.2008.10.013 | Peptidylglycine alpha-amidating monooxygenase | 4 |
| 2496229 | 10.1021/jm00125a017 | Aldo-keto reductase family 1 member B1 | 2 |
| 10072676 | 10.1021/jm980663f | Tyrosine-protein kinase Lck | 1 |
| 10072676 | 10.1021/jm980663f | Tyrosine-protein kinase Fyn | 1 |
Data from ChEMBL 36 via Core Engine