Compound Detail
CHEMBL298679
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COc1ccc(NC(=O)Nc2nc3nc(NCCCN4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL298679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVEXBQONPVYXPA-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
595.5
MW (Da)
5.70
ALogP
8
HBA
3
HBD
107.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3655 | IC50 | 7.55 | 7.515 | 28.0 | 2 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
| Fibroblast growth factor receptor CHEMBL2095217 | IC50 | 6.86 | 6.86 | 139.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
| Platelet-derived growth factor receptor CHEMBL2096980 | IC50 | 6.1 | 6.1 | 793.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 28.0 | nM | 7.55 | Inhibition of chicken c-Src tyrosine kinase | 9599227 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 33.0 | nM | 7.48 | Ability to prevent phosphorylation of avian c-Src TK | 11384237 |
| Fibroblast growth factor receptor 1 | IC50 | = | 74.0 | nM | 7.13 | Ability to prevent phosphorylation of human fibroblast growth factor receptor 1 | 11384237 |
| Fibroblast growth factor receptor | IC50 | = | 139.0 | nM | 6.86 | Inhibitory concentration of compound against human fibroblast growth factor rece... | 9599227 |
| Platelet-derived growth factor receptor beta | IC50 | = | 680.0 | nM | 6.17 | Ability to prevent phosphorylation of isolated mouse PDGF receptor beta | 11384237 |
| Epidermal growth factor receptor | IC50 | = | 720.0 | nM | 6.14 | Inhibition of human epidermal growth factor receptor | 9599227 |
| Platelet-derived growth factor receptor | IC50 | = | 793.0 | nM | 6.1 | 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 |
| 11384237 | 10.1021/jm0004291 | Platelet-derived growth factor receptor beta | 1 |
| 11384237 | 10.1021/jm0004291 | Fibroblast growth factor receptor 1 | 1 |
| 11384237 | 10.1021/jm0004291 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 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