Compound Detail
CHEMBL2180603
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Basic Information
| ChEMBL ID | CHEMBL2180603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQVGFDBMONQTBC-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
2.96
ALogP
8
HBA
0
HBD
70.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.5 | 6.984 | 32.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of VEGFR2 | 23098265 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of VEGFR2 (unknown origin) | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of VEGFR-2 (unknown origin) using myelin basic protein as substrate i... | 37285684 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of human VEGFR-2 in presence of gamma-[33P]-ATP by scintillation coun... | 37453330 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 11900.0 | nM | 4.92 | Inhibition of VEGF-induced human VEGFR2 autophosphorylation expressed in HUVEC c... | 37453330 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 37453330 | 10.1016/j.ejmech.2023.115626 | Vascular endothelial growth factor receptor 2 | 2 |
| 23098265 | 10.1021/jm301085w | HepG2 | 1 |
| 23098265 | 10.1021/jm301085w | SW-620 | 1 |
| 23098265 | 10.1021/jm301085w | Danio rerio | 1 |
| 23098265 | 10.1021/jm301085w | HUVEC | 1 |
| 23098265 | 10.1021/jm301085w | Vascular endothelial growth factor receptor 2 | 1 |
| - | 10.1039/C5MD00127G | Vascular endothelial growth factor receptor 2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 37285684 | 10.1016/j.ejmech.2023.115535 | Vascular endothelial growth factor receptor 2 | 1 |
| 37453330 | 10.1016/j.ejmech.2023.115626 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 37453330 | 10.1016/j.ejmech.2023.115626 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine