Compound Detail
CHEMBL437754
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
c1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)oc3nccc(NCCc4cccnc4)c23)cc1
Basic Information
| ChEMBL ID | CHEMBL437754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKKHXTGUTLRIAS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
518.7
MW (Da)
7.08
ALogP
6
HBA
1
HBD
63.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activated CDC42 kinase 1 CHEMBL4599 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activated CDC42 kinase 1 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Ack1 | 17276681 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 37.0 | nM | 7.43 | Inhibition of JAK3 | 17276681 |
| Tyrosine-protein kinase Lck | IC50 | = | 170.0 | nM | 6.77 | Inhibition of Lck by HTRF assay | 17276681 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 370.0 | nM | 6.43 | Inhibition of KDR | 17276681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17276681 | 10.1016/j.bmcl.2007.01.048 | Tyrosine-protein kinase Lck | 1 |
| 17276681 | 10.1016/j.bmcl.2007.01.048 | Vascular endothelial growth factor receptor 2 | 1 |
| 17276681 | 10.1016/j.bmcl.2007.01.048 | Activated CDC42 kinase 1 | 1 |
| 17276681 | 10.1016/j.bmcl.2007.01.048 | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine