Compound Detail
CHEMBL5427272
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Basic Information
| ChEMBL ID | CHEMBL5427272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPDDFWHQTKEHMP-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
3.27
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.96 | 5.96 | 1090.0 | 2 |
| HCT-116 CHEMBL394 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.93 | 4.93 | 11820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1090.0 | nM | 5.96 | Inhibition of VEGFR-2 (unknown origin) kinase activity using poly(Glu-Tyr) at 4:... | 38389872 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1090.0 | nM | 5.96 | Inhibition of VEGFR2 (unknown origin) | 38728867 |
| HCT-116 | IC50 | = | 2200.0 | nM | 5.66 | Cytotoxicity against human HCT-116 cells assessed as reduction in cell viability | 38728867 |
| HepG2 | IC50 | = | 5300.0 | nM | 5.28 | Cytotoxicity against human HepG2 cells assessed as reduction in cell viability | 38728867 |
| ADMET | IC50 | = | 11820.0 | nM | 4.93 | Cytotoxicity against African green monkey Vero cells assessed as reduction in ce... | 38728867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38389872 | 10.1039/d3md00506b | Vascular endothelial growth factor receptor 2 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | Vascular endothelial growth factor receptor 2 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | HepG2 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | HCT-116 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine