Compound Detail
CHEMBL5094406
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Basic Information
| ChEMBL ID | CHEMBL5094406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACQVYHSWYYIBOX-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
3.31
ALogP
10
HBA
3
HBD
112.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.1 | 7.586 | 8.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 8.023 | nM | 8.1 | Inhibition of EGFR T790M/C797S double mutant (unknown origin) using flurogenic s... | 34794818 |
| Epidermal growth factor receptor | IC50 | = | 8.0 | nM | 8.1 | Inhibition of EGFR L858R/T790M (unknown origin) | 38879996 |
| Epidermal growth factor receptor | IC50 | = | 18.7 | nM | 7.73 | Inhibition of EGFR del19 (unknown origin) using flurogenic substrate in presence... | 34794818 |
| Epidermal growth factor receptor | IC50 | = | 100.6 | nM | 7.0 | Inhibition of wild type EGFR (unknown origin) using flurogenic substrate in pres... | 34794818 |
| Epidermal growth factor receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition of wild-type EGFR (unknown origin) | 38879996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34794818 | 10.1016/j.ejmech.2021.113984 | Epidermal growth factor receptor | 3 |
| 38879996 | 10.1016/j.bmc.2024.117796 | Epidermal growth factor receptor | 2 |
| 34794818 | 10.1016/j.ejmech.2021.113984 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine