Compound Detail
CHEMBL188648
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Basic Information
| ChEMBL ID | CHEMBL188648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNGPDEJIWHVMBL-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
432.4
MW (Da)
5.72
ALogP
5
HBA
2
HBD
67.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3655 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.46 | 6.33 | 350.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 42.0 | nM | 7.38 | Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by avian c-Src ... | 16000000 |
| Fibroblast growth factor receptor 1 | IC50 | = | 350.0 | nM | 6.46 | Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human fibrob... | 16000000 |
| Fibroblast growth factor receptor 1 | IC50 | = | 630.0 | nM | 6.2 | Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human FGFR1 ... | 16000000 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human VEGFR ... | 16000000 |
| Platelet-derived growth factor receptor beta | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by mouse platel... | 16000000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16000000 | 10.1021/jm0500931 | Fibroblast growth factor receptor 1 | 2 |
| 16000000 | 10.1021/jm0500931 | Vascular endothelial growth factor receptor 2 | 1 |
| 16000000 | 10.1021/jm0500931 | Platelet-derived growth factor receptor beta | 1 |
| 16000000 | 10.1021/jm0500931 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine