Compound Detail
CHEMBL2180605
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Basic Information
| ChEMBL ID | CHEMBL2180605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHPVWTJTATVJBR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2220486 |
| Active Moiety | CHEMBL2220486 |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
4.42
ALogP
6
HBA
2
HBD
95.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.76 | 7.76 | 17.5 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 7.08 | 7.08 | 82.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 1 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of VEGFR1 | 23098265 |
| Vascular endothelial growth factor receptor 3 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of VEGFR3 | 23098265 |
| Fibroblast growth factor receptor 1 | IC50 | = | 17.5 | nM | 7.76 | Inhibition of FGFR1 | 23098265 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of VEGFR2 | 23098265 |
| Fibroblast growth factor receptor 2 | IC50 | = | 82.5 | nM | 7.08 | Inhibition of FGFR2 | 23098265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23098265 | 10.1021/jm301085w | Fibroblast growth factor receptor 2 | 1 |
| 23098265 | 10.1021/jm301085w | Fibroblast growth factor receptor 1 | 1 |
| 23098265 | 10.1021/jm301085w | Vascular endothelial growth factor receptor 3 | 1 |
| 23098265 | 10.1021/jm301085w | Vascular endothelial growth factor receptor 2 | 1 |
| 23098265 | 10.1021/jm301085w | Vascular endothelial growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine