Compound Detail
CHEMBL5269016
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Basic Information
| ChEMBL ID | CHEMBL5269016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNFHOADGJQRTPB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
2.17
ALogP
8
HBA
1
HBD
108.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SNU-16 CHEMBL613529 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.47 | 5.47 | 3377.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SNU-16 | IC50 | = | 33.0 | nM | 7.48 | Cytotoxicity against human SNU-16 cells assessed as inhibition of cell growth me... | 37077386 |
| Fibroblast growth factor receptor 2 | IC50 | = | 34.0 | nM | 7.47 | Inhibition of human recombinant cytoplasmic domain FGFR2 (8 to 134 residues) inc... | 37077386 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 3377.0 | nM | 5.47 | Inhibition of N-terminal GST tagged recombinant human VEGFR2 (aa805 to 1356 resi... | 37077386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37077386 | 10.1021/acsmedchemlett.3c00006 | Fibroblast growth factor receptor 2 | 1 |
| 37077386 | 10.1021/acsmedchemlett.3c00006 | Vascular endothelial growth factor receptor 2 | 1 |
| 37077386 | 10.1021/acsmedchemlett.3c00006 | SNU-16 | 1 |
| 37077386 | 10.1021/acsmedchemlett.3c00006 | SNU1 | 1 |
Data from ChEMBL 36 via Core Engine