Compound Detail
CHEMBL31588
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Basic Information
| ChEMBL ID | CHEMBL31588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKBAOZZHNYPUBZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
484.4
MW (Da)
4.98
ALogP
6
HBA
2
HBD
79.4
PSA (Ų)
0.31
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.41 | 8.255 | 3.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 3.9 | nM | 8.41 | Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer b... | 10753475 |
| Epidermal growth factor receptor | IC50 | = | 7.9 | nM | 8.1 | 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