Compound Detail
CHEMBL5191301
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CCN1CCN(C(=O)c2ccc3nc(-c4cc(CCc5cc(OC)cc(OC)c5)[nH]n4)[nH]c3c2)CC1
Basic Information
| ChEMBL ID | CHEMBL5191301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGKDTJAGVPINNR-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
3.53
ALogP
6
HBA
2
HBD
99.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.71 | 8.71 | 1.9 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 7.84 | 7.84 | 14.6 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.05 | 7.05 | 89.6 | 1 |
| SNU-16 CHEMBL613529 | IC50 | 6.47 | 6.47 | 336.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 | IC50 | = | 1.93 | nM | 8.71 | Inhibition of recombinant N-terminal GST-tagged human FGFR2 (399 to 821 residues... | 33199155 |
| Fibroblast growth factor receptor 1 | IC50 | = | 5.55 | nM | 8.26 | Inhibition of recombinant N-terminal GST-tagged human FGFR1 (398 to 822 residues... | 33199155 |
| Fibroblast growth factor receptor 3 | IC50 | = | 14.56 | nM | 7.84 | Inhibition of recombinant human N-terminal GST-tagged FGFR3 (436 to 806 residues... | 33199155 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 89.6 | nM | 7.05 | Inhibition of recombinant N-terminal GST-tagged human KDR (790 to 1356 residues)... | 33199155 |
| SNU-16 | IC50 | = | 336.3 | nM | 6.47 | Antiproliferative activity against human SNU-16 cells overexpressing FGFR2 asses... | 33199155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33199155 | 10.1016/j.ejmech.2020.112990 | Fibroblast growth factor receptor 1 | 1 |
| 33199155 | 10.1016/j.ejmech.2020.112990 | Fibroblast growth factor receptor 2 | 1 |
| 33199155 | 10.1016/j.ejmech.2020.112990 | Fibroblast growth factor receptor 3 | 1 |
| 33199155 | 10.1016/j.ejmech.2020.112990 | Vascular endothelial growth factor receptor 2 | 1 |
| 33199155 | 10.1016/j.ejmech.2020.112990 | SNU-16 | 1 |
Data from ChEMBL 36 via Core Engine