Compound Detail
CHEMBL567592
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
CCCCCCN1CCN(C(=O)Nc2cccc3ccccc23)C[C@H]1[C@H](C)Nc1nccc(-n2cnc3ccccc32)n1
Basic Information
| ChEMBL ID | CHEMBL567592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKGWRALXTFQWFR-FKAPRUDGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
576.8
MW (Da)
6.57
ALogP
7
HBA
2
HBD
91.2
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 1.8 | nM | 8.74 | Inhibition of Lck | 19674899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19674899 | 10.1016/j.bmcl.2009.07.102 | Tyrosine-protein kinase Lck | 1 |
| 19674899 | 10.1016/j.bmcl.2009.07.102 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine