Compound Detail
CHEMBL3952373
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Basic Information
| ChEMBL ID | CHEMBL3952373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCPGRDOVYIYSQY-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
2.34
ALogP
5
HBA
4
HBD
125.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 | IC50 | = | 870.0 | nM | 6.06 | Inhibition of human FGFR2 by time-resolved fluorescence or time-resolved fluores... | 27933954 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of human KDR by time-resolved fluorescence or time-resolved fluoresce... | 27933954 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of human SRC by time-resolved fluorescence or time-resolved fluoresce... | 27933954 |
| NON-PROTEIN TARGET | IC50 | = | 33000.0 | nM | 4.48 | Antiproliferative activity against human HCT116 cells incubated for 4 days by CC... | 27933954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27933954 | 10.1021/acs.jmedchem.6b01156 | NON-PROTEIN TARGET | 2 |
| 27933954 | 10.1021/acs.jmedchem.6b01156 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 27933954 | 10.1021/acs.jmedchem.6b01156 | Vascular endothelial growth factor receptor 2 | 1 |
| 27933954 | 10.1021/acs.jmedchem.6b01156 | Fibroblast growth factor receptor 4 | 1 |
| 27933954 | 10.1021/acs.jmedchem.6b01156 | Fibroblast growth factor receptor 3 | 1 |
| 27933954 | 10.1021/acs.jmedchem.6b01156 | Fibroblast growth factor receptor 2 | 1 |
| 27933954 | 10.1021/acs.jmedchem.6b01156 | Fibroblast growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine