Compound Detail
CHEMBL4864168
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Basic Information
| ChEMBL ID | CHEMBL4864168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHVOHEKRBLRRKU-STZFKDTASA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
4.74
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.35 | 5.85 | 44.7 | 2 |
| HT-29 CHEMBL384 | IC50 | 5.41 | 5.41 | 3940.0 | 1 |
| MKN-45 CHEMBL614354 | IC50 | 5.33 | 5.33 | 4690.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 4.86 | 4.86 | 13700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 44.67 | nM | 7.35 | Inhibition of human recombinant VEGFR-2 in the presence of ATP | 38389872 |
| HT-29 | IC50 | = | 3940.0 | nM | 5.41 | Antiproliferative activity against human HT-29 cells assessed as inhibition of V... | 33340911 |
| MKN-45 | IC50 | = | 4690.0 | nM | 5.33 | Antiproliferative activity against human MKN-45 cells assessed assessed as inhib... | 33340911 |
| HUVEC | IC50 | = | 13700.0 | nM | 4.86 | Cytotoxicity against HUVEC cells assessed as inhibition of cell proliferation in... | 33340911 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 44670.0 | nM | 4.35 | Inhibition of recombinant human His-tagged VEGFR2 expressed in Baculovirus expre... | 33340911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33340911 | 10.1016/j.ejmech.2020.113083 | Vascular endothelial growth factor receptor 2 | 1 |
| 33340911 | 10.1016/j.ejmech.2020.113083 | HT-29 | 1 |
| 33340911 | 10.1016/j.ejmech.2020.113083 | MKN-45 | 1 |
| 33340911 | 10.1016/j.ejmech.2020.113083 | HUVEC | 1 |
| 38389872 | 10.1039/d3md00506b | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine