Compound Detail
CHEMBL215691
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
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(NC3CCN(C)CC3)ncc2c1
Basic Information
| ChEMBL ID | CHEMBL215691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSUDSWBWGLGBGN-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
6.69
ALogP
5
HBA
2
HBD
70.2
PSA (Ų)
0.30
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.99 | 6.99 | 103.0 | 1 |
| T-cell CHEMBL614309 | IC50 | 6.82 | 6.475 | 152.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 0.6 | nM | 9.22 | Inhibition of Lck by HTRF kinase assay | 16970394 |
| Mitogen-activated protein kinase 14 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of p38-alpha by HTRF kinase assay | 16970394 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 103.0 | nM | 6.99 | Inhibition of KDR by HTRF kinase assay | 16970394 |
| T-cell | IC50 | = | 152.0 | nM | 6.82 | Inhibition of human T cell proliferation by mixed lymphocyte reaction | 16970394 |
| T-cell | IC50 | = | 745.0 | nM | 6.13 | Inhibition of anti CD3/CD28-induced IL2 secretion in human T cells | 16970394 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16970394 | 10.1021/jm0605482 | T-cell | 2 |
| 16970394 | 10.1021/jm0605482 | Tyrosine-protein kinase Lck | 1 |
| 16970394 | 10.1021/jm0605482 | Vascular endothelial growth factor receptor 2 | 1 |
| 16970394 | 10.1021/jm0605482 | Mitogen-activated protein kinase 14 | 1 |
| 16970394 | 10.1021/jm0605482 | Tyrosine-protein kinase JAK3 | 1 |
| 16970394 | 10.1021/jm0605482 | No relevant target | 1 |
| 16970394 | 10.1021/jm0605482 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine