Compound Detail
CHEMBL432314
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CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NC(C)(C)C)nc3n2)cc1
Basic Information
| ChEMBL ID | CHEMBL432314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYTBQANMHOWXBJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
596.6
MW (Da)
7.38
ALogP
7
HBA
3
HBD
104.3
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3655 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Fibroblast growth factor receptor CHEMBL2095217 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Platelet-derived growth factor receptor CHEMBL2096980 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 24.0 | nM | 7.62 | Inhibition of chicken c-Src tyrosine kinase | 9599227 |
| Fibroblast growth factor receptor | IC50 | = | 51.0 | nM | 7.29 | Inhibitory concentration of compound against human fibroblast growth factor rece... | 9599227 |
| Platelet-derived growth factor receptor | IC50 | = | 1100.0 | nM | 5.96 | Inhibitory concentration of compound against mouse Platelet-derived growth facto... | 9599227 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17964795 | 10.1016/j.bmc.2007.10.024 | Unchecked | 2 |
| 9599227 | 10.1021/jm970634p | Platelet-derived growth factor receptor | 1 |
| 9599227 | 10.1021/jm970634p | Fibroblast growth factor receptor | 1 |
| 9599227 | 10.1021/jm970634p | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 9599227 | 10.1021/jm970634p | Epidermal growth factor receptor | 1 |
| 17964795 | 10.1016/j.bmc.2007.10.024 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine