Compound Detail
CHEMBL4438418
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Basic Information
| ChEMBL ID | CHEMBL4438418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMLXCUULIBNDBT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
5.56
ALogP
6
HBA
2
HBD
92.2
PSA (Ų)
0.21
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.24 | 6.24 | 570.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.31 | 4.31 | 49040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 570.0 | nM | 6.24 | Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infec... | 31284081 |
| MCF7 | IC50 | = | 49040.0 | nM | 4.31 | Cytotoxicity against human MCF7 cells expressing VEGFR2 and wild type BRAF measu... | 31284081 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31284081 | 10.1016/j.ejmech.2019.06.063 | Vascular endothelial growth factor receptor 2 | 1 |
| 31284081 | 10.1016/j.ejmech.2019.06.063 | Serine/threonine-protein kinase B-raf | 1 |
| 31284081 | 10.1016/j.ejmech.2019.06.063 | MCF7 | 1 |
| 31284081 | 10.1016/j.ejmech.2019.06.063 | T47D | 1 |
Data from ChEMBL 36 via Core Engine