Compound Detail
CHEMBL112080
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Basic Information
| ChEMBL ID | CHEMBL112080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBHJVCQCWMYGAJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
484.4
MW (Da)
4.99
ALogP
7
HBA
1
HBD
72.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3655 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 7.02 | 7.02 | 96.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 9.0 | nM | 8.05 | Inhibition of avian c-Src tyrosine kinase | 9703473 |
| Fibroblast growth factor receptor 1 | IC50 | = | 34.0 | nM | 7.47 | Inhibitory concentration evaluated against fibroblast growth factor receptor 1. | 9703473 |
| Platelet-derived growth factor receptor beta | IC50 | = | 96.0 | nM | 7.02 | Inhibitory concentration was evaluated against Platelet-derived growth factor re... | 9703473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9703473 | 10.1021/jm9802259 | Platelet-derived growth factor receptor beta | 1 |
| 9703473 | 10.1021/jm9802259 | Fibroblast growth factor receptor 1 | 1 |
| 9703473 | 10.1021/jm9802259 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 9703473 | 10.1021/jm9802259 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine