Compound Detail
CHEMBL49986
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Basic Information
| ChEMBL ID | CHEMBL49986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBTKBOXSMBAAAQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
370.2
MW (Da)
3.66
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.27 | 8.12 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.54 | nM | 9.27 | Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isol... | 10346932 |
| Epidermal growth factor receptor | IC50 | = | 108.0 | nM | 6.97 | 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 |
Data from ChEMBL 36 via Core Engine