Compound Detail
CHEMBL441279
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Basic Information
| ChEMBL ID | CHEMBL441279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBBWAZYDYIKZBH-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
465.3
MW (Da)
4.17
ALogP
6
HBA
2
HBD
96.3
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.48 | 6.48 | 330.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 330.0 | nM | 6.48 | Concentration required to inhibit autophosphorylation of cytoplasmic domain of e... | 15177440 |
| Epidermal growth factor receptor | IC50 | = | 331.13 | nM | 6.48 | Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA | 17689836 |
| Epidermal growth factor receptor | IC50 | = | 330.0 | nM | 6.48 | Inhibition of epidermal growth factor receptor kinase (unknown origin) using [33... | 26256032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15177440 | 10.1016/j.bmcl.2004.04.080 | Epidermal growth factor receptor | 1 |
| 17689836 | 10.1016/j.ejmech.2007.06.006 | Epidermal growth factor receptor | 1 |
| - | 10.1007/s00044-004-0105-8 | Epidermal growth factor receptor | 1 |
| 26256032 | 10.1016/j.ejmech.2015.07.030 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine