Compound Detail
CHEMBL31369
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Basic Information
| ChEMBL ID | CHEMBL31369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPJSAJWYSOMBPM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
456.3
MW (Da)
4.20
ALogP
6
HBA
2
HBD
79.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.57 | 6.34 | 27.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 27.0 | nM | 7.57 | Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer b... | 10753475 |
| Epidermal growth factor receptor | IC50 | = | 7693.0 | nM | 5.11 | Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells de... | 10753475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10753475 | 10.1021/jm990482t | Epidermal growth factor receptor | 3 |
Data from ChEMBL 36 via Core Engine