Compound Detail
CHEMBL526507
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CN1CCN(c2ccc3[nH]c(-c4c(N)c5cc(C(=O)NCc6ccccc6)ccc5[nH]c4=O)nc3c2)CC1
Basic Information
| ChEMBL ID | CHEMBL526507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJQHYAYIOMPFGN-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
3.34
ALogP
6
HBA
4
HBD
123.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.0
EC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 0.1 | nM | 10.0 | Inhibition of human recombinant PDGFRbeta | 19113866 |
| Fibroblast growth factor receptor 1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human recombinant FGFR1 | 19113866 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of human recombinant VEGFR2 | 19113866 |
| NON-PROTEIN TARGET | EC50 | = | 120.0 | nM | 6.92 | Inhibition of VEGF-mediated proliferation of HMVEC after 72 hrs | 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 |
| 19113866 | 10.1021/jm800790t | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine