Compound Detail
CHEMBL50344
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Basic Information
| ChEMBL ID | CHEMBL50344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFBKCZIAECRELC-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
329.2
MW (Da)
4.18
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.4 | 8.2625 | 4.0 | 4 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 4.75 | 4.75 | 17600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 4.0 | nM | 8.4 | Concentration required to inhibit the phosphorylation of a 14-residue fragment o... | 8568816 |
| Epidermal growth factor receptor | IC50 | = | 4.074 | nM | 8.39 | Inhibition of EGFR | 18271520 |
| Epidermal growth factor receptor | IC50 | = | 5.0 | nM | 8.3 | Inhibition of EGFR tyrosine kinase | 16759097 |
| Epidermal growth factor receptor | IC50 | = | 11.0 | nM | 7.96 | Tested for inhibition of PLC gamma-derived substrate in Epidermal growth factor ... | 9191958 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 c... | 16759097 |
| NIH3T3 | IC50 | = | 17600.0 | nM | 4.75 | Inhibition of serum-stimulated proliferation of mouse NIH3T3 cell line after 24 ... | 16759097 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9191958 | 10.1021/jm960879m | Epidermal growth factor receptor | 1 |
| 8568816 | 10.1021/jm9503613 | Epidermal growth factor receptor | 1 |
| 16759097 | 10.1021/jm0600390 | Epidermal growth factor receptor | 1 |
| 16759097 | 10.1021/jm0600390 | NIH3T3 | 1 |
| 16759097 | 10.1021/jm0600390 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 18271520 | 10.1021/jm070654j | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine