Compound Detail
CHEMBL5286055
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Basic Information
| ChEMBL ID | CHEMBL5286055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBGDQYHRGGXOGN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
6.72
ALogP
5
HBA
1
HBD
63.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.15 | 7.6367 | 7.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 7.03 | nM | 8.15 | Inhibition of EGFR d746-750/T790M double mutant (unknown origin) | 36064123 |
| Epidermal growth factor receptor | IC50 | = | 20.1 | nM | 7.7 | Inhibition of EGFR L858R/T790M double mutant (unknown origin) | 36064123 |
| Epidermal growth factor receptor | IC50 | = | 86.5 | nM | 7.06 | Inhibition of EGFR d746-750/T790M/C797S triple mutant (unknown origin) | 36064123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36064123 | 10.1016/j.bmcl.2022.128970 | Epidermal growth factor receptor | 3 |
Data from ChEMBL 36 via Core Engine