Compound Detail
CHEMBL54091
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Basic Information
| ChEMBL ID | CHEMBL54091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIONRJFCDLKILS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
388.2
MW (Da)
3.79
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.14 | 8.91 | 0.7 | 2 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.72 | nM | 9.14 | Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isol... | 10346932 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 1.1 | nM | 8.96 | Inhibition of heregulin-stimulated autophosphorylation of ERBB2 receptor kinase ... | 10346932 |
| Epidermal growth factor receptor | IC50 | = | 2.1 | nM | 8.68 | Inhibition of EGF-stimulated autophosphorylation of epidermal growth factor rece... | 10346932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10346932 | 10.1021/jm9806603 | Epidermal growth factor receptor | 3 |
| 10346932 | 10.1021/jm9806603 | A-431 | 3 |
| 10346932 | 10.1021/jm9806603 | NCI-H125 | 3 |
| 10346932 | 10.1021/jm9806603 | Mus musculus | 2 |
| 10346932 | 10.1021/jm9806603 | Receptor tyrosine-protein kinase erbB-2 | 1 |
Data from ChEMBL 36 via Core Engine