Compound Detail
CHEMBL4165331
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CN1CCN(CC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4cc(-c5ncon5)ccc43)c3ccccc3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4165331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEBIBSIUUZHXBI-ZIADKAODSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
549.6
MW (Da)
3.88
ALogP
8
HBA
2
HBD
106.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 4.6 | nM | 8.34 | Inhibition of recombinant VEGFR2 (unknown origin) by off-chip mobility shift ass... | 29152045 |
| Platelet-derived growth factor receptor beta | IC50 | = | 5.3 | nM | 8.28 | Inhibition of recombinant PDGFRbeta (unknown origin) by off-chip mobility shift ... | 29152045 |
| Fibroblast growth factor receptor 1 | IC50 | = | 44.0 | nM | 7.36 | Inhibition of recombinant FGFR1 (unknown origin) by off-chip mobility shift assa... | 29152045 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29152045 | 10.1021/acsmedchemlett.7b00164 | Mus musculus | 1 |
| 29152045 | 10.1021/acsmedchemlett.7b00164 | Vascular endothelial growth factor receptor 2 | 1 |
| 29152045 | 10.1021/acsmedchemlett.7b00164 | Platelet-derived growth factor receptor beta | 1 |
| 29152045 | 10.1021/acsmedchemlett.7b00164 | Fibroblast growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine