Compound Detail
CHEMBL1836813
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 | CHEMBL1836813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZBBQXMBSCKMNN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
465.9
MW (Da)
4.08
ALogP
7
HBA
2
HBD
100.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Protein-tyrosine kinase 6 CHEMBL4601 | IC50 | 7.22 | 7.04 | 60.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 10.0 | nM | 8.0 | Inhibition of LCK | 21855335 |
| Protein-tyrosine kinase 6 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of BRK pretreated for 30 mins by microplate reader | 21855335 |
| Protein-tyrosine kinase 6 | IC50 | = | 137.0 | nM | 6.86 | Inhibition of phosphorylation of SAM68 in 293 WT-PTK6 cells after 3 hrs | 21855335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21855335 | 10.1016/j.bmcl.2011.07.101 | Protein-tyrosine kinase 6 | 2 |
| 21855335 | 10.1016/j.bmcl.2011.07.101 | Aurora kinase B | 1 |
| 21855335 | 10.1016/j.bmcl.2011.07.101 | Tyrosine-protein kinase Lck | 1 |
Data from ChEMBL 36 via Core Engine