Compound Detail
CHEMBL28418
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Basic Information
| ChEMBL ID | CHEMBL28418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXLRVRIKQJRVCZ-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
343.8
MW (Da)
3.69
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.12 | 8.435 | 0.8 | 4 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 7.92 | 7.92 | 12.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.75 | nM | 9.12 | Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer b... | 10753475 |
| Epidermal growth factor receptor | IC50 | = | 0.75 | nM | 9.12 | Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isol... | 10346932 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells | 10753475 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of heregulin-stimulated autophosphorylation of ERBB2 receptor kinase ... | 10346932 |
| Epidermal growth factor receptor | IC50 | = | 18.0 | nM | 7.75 | Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells de... | 10753475 |
| Epidermal growth factor receptor | IC50 | = | 18.0 | nM | 7.75 | Inhibition of EGF-stimulated autophosphorylation of epidermal growth factor rece... | 10346932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10753475 | 10.1021/jm990482t | Epidermal growth factor receptor | 3 |
| 10346932 | 10.1021/jm9806603 | Epidermal growth factor receptor | 3 |
| 10753475 | 10.1021/jm990482t | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 10346932 | 10.1021/jm9806603 | Receptor tyrosine-protein kinase erbB-2 | 1 |
Data from ChEMBL 36 via Core Engine