Compound Detail
CHEMBL247024
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
N#Cc1cnc2ccc(-c3ccc(CN4CCOCC4)cc3)cc2c1N[C@@H]1C[C@H]1c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL247024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJICIGXZTZGSSZ-LITSAYRRSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
5.57
ALogP
5
HBA
1
HBD
61.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.4
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | Ki | 6.24 | 6.24 | 570.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.6 | 5.6 | 2530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | Ki | = | 400.0 | nM | 6.4 | Inhibition of human recombinant EGFR by fluorescence polarization assay | 17827009 |
| Proto-oncogene tyrosine-protein kinase Src | Ki | = | 570.0 | nM | 6.24 | Inhibition of SRC | 17827009 |
| Epidermal growth factor receptor | IC50 | = | 2530.0 | nM | 5.6 | Inhibition of human EGFR autophosphorylation in A431 cells | 17827009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17827009 | 10.1016/j.bmcl.2007.07.071 | Epidermal growth factor receptor | 2 |
| 17827009 | 10.1016/j.bmcl.2007.07.071 | Tyrosine-protein kinase ABL1 | 1 |
| 17827009 | 10.1016/j.bmcl.2007.07.071 | Tyrosine-protein kinase SYK | 1 |
| 17827009 | 10.1016/j.bmcl.2007.07.071 | Vascular endothelial growth factor receptor 1 | 1 |
| 17827009 | 10.1016/j.bmcl.2007.07.071 | Vascular endothelial growth factor receptor 2 | 1 |
| 17827009 | 10.1016/j.bmcl.2007.07.071 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine