Compound Detail
CHEMBL4461971
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O=C(Nc1ccc(Oc2ncnc3cc(OCCN4CCOCC4)c4c(c23)OCCO4)cc1)Nc1cc(C(F)(F)F)ccc1F
Basic Information
| ChEMBL ID | CHEMBL4461971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYGCGFFVCYAIFG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
629.6
MW (Da)
5.71
ALogP
9
HBA
2
HBD
116.3
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.97 | 5.765 | 1081.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1081.0 | nM | 5.97 | Inhibition of human N-terminal GST-tagged VEGFR2 cytoplasmic domain (790 to 1356... | 31096155 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2750.0 | nM | 5.56 | Test of Small Molecule Compounds for Inhibiting the Activity of VEGFR-2 Kinase: ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31096155 | 10.1016/j.ejmech.2019.04.015 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine