Compound Detail
CHEMBL334801
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Basic Information
| ChEMBL ID | CHEMBL334801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDQAZRHOHYFAOQ-BQYQJAHWSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
498.4
MW (Da)
3.09
ALogP
7
HBA
3
HBD
112.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.96 | 7.8133 | 1.1 | 3 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1.1 | nM | 8.96 | Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer b... | 11462982 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of heregulin-stimulated autophosphorylation of erbB2 in MDA-MB 453 ce... | 11462982 |
| Epidermal growth factor receptor | IC50 | = | 57.0 | nM | 7.24 | Inhibition of autophosphorylation of EGFR in A431 cells | 11462982 |
| Epidermal growth factor receptor | IC50 | = | 57.0 | nM | 7.24 | Inhibition of EGF-stimulated autophosphorylation of EGFR in A431 cells | 11462982 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11462982 | 10.1021/jm000372i | Epidermal growth factor receptor | 4 |
| 11462982 | 10.1021/jm000372i | Receptor tyrosine-protein kinase erbB-2 | 1 |
Data from ChEMBL 36 via Core Engine