Compound Detail
CHEMBL113070
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Basic Information
| ChEMBL ID | CHEMBL113070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBIJGNHFFWAGLZ-UHFFFAOYSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
483.4
MW (Da)
5.45
ALogP
6
HBA
2
HBD
97.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3655 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Wee1-like protein kinase CHEMBL5491 | IC50 | 7.5 | 7.5 | 32.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 32.0 | nM | 7.5 | Inhibition of avian c-Src tyrosine kinase | 9703473 |
| Wee1-like protein kinase | IC50 | = | 32.0 | nM | 7.5 | Inhibition of checkpoint kinase Wee1 | 15780636 |
| Unchecked | IC50 | = | 32.0 | nM | 7.5 | Inhibition of c-Src tyrosine kinase | 15780636 |
| Wee1-like protein kinase | IC50 | = | 32.0 | nM | 7.5 | Inhibition of Wee1 (unknown origin) | 32688199 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 32.0 | nM | 7.5 | Inhibition of c-Src (unknown origin) | 32688199 |
| Epidermal growth factor receptor | IC50 | = | 80.0 | nM | 7.1 | Inhibitory concentration was evaluated against epidermal growth factor receptor ... | 9703473 |
| Fibroblast growth factor receptor 1 | IC50 | = | 110.0 | nM | 6.96 | Inhibitory concentration evaluated against fibroblast growth factor receptor 1. | 9703473 |
| Platelet-derived growth factor receptor beta | IC50 | = | 120.0 | nM | 6.92 | 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 |
| 15780636 | 10.1016/j.bmcl.2005.01.079 | Wee1-like protein kinase | 1 |
| 15780636 | 10.1016/j.bmcl.2005.01.079 | Unchecked | 1 |
| 32688199 | 10.1016/j.ejmech.2020.112524 | Wee1-like protein kinase | 1 |
| 32688199 | 10.1016/j.ejmech.2020.112524 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine