Compound Detail
CHEMBL431942
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CN1CCN(CCCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NC(C)(C)C)nc3n2)CC1
Basic Information
| ChEMBL ID | CHEMBL431942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUUXCZKMEAGSSK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
559.5
MW (Da)
5.36
ALogP
7
HBA
3
HBD
98.3
PSA (Ų)
0.32
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3655 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 10.0 | nM | 8.0 | Ability to prevent phosphorylation of avian c-Src TK | 11384237 |
| Fibroblast growth factor receptor 1 | IC50 | = | 35.0 | nM | 7.46 | Ability to prevent phosphorylation of human fibroblast growth factor receptor 1 | 11384237 |
| Platelet-derived growth factor receptor beta | IC50 | = | 280.0 | nM | 6.55 | Ability to prevent phosphorylation of isolated mouse PDGF receptor beta | 11384237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine