Compound Detail
CHEMBL495530
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CN1CCN(c2ccc3[nH]c(-c4c(N)c5cc(NC(=O)c6ccccc6)ccc5[nH]c4=O)nc3c2)CC1
Basic Information
| ChEMBL ID | CHEMBL495530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONIQLXFRKQNCJV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
493.6
MW (Da)
3.66
ALogP
6
HBA
4
HBD
123.1
PSA (Ų)
0.30
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 39.0 | nM | 7.41 | Inhibition of human recombinant PDGFRbeta | 19113866 |
| Fibroblast growth factor receptor 1 | IC50 | = | 900.0 | nM | 6.05 | Inhibition of human recombinant FGFR1 | 19113866 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 980.0 | nM | 6.01 | Inhibition of human recombinant VEGFR2 | 19113866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19113866 | 10.1021/jm800790t | Vascular endothelial growth factor receptor 2 | 1 |
| 19113866 | 10.1021/jm800790t | Fibroblast growth factor receptor 1 | 1 |
| 19113866 | 10.1021/jm800790t | Platelet-derived growth factor receptor beta | 1 |
Data from ChEMBL 36 via Core Engine