Compound Detail
CHEMBL5186794
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Basic Information
| ChEMBL ID | CHEMBL5186794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJVIVLIXTGJACE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
387.8
MW (Da)
3.82
ALogP
7
HBA
1
HBD
74.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.6 | 6.6533 | 24.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 24.9 | nM | 7.6 | Inhibition of EGFR (unknown origin) Del19 mutant preincubated with compound 30 m... | 36384036 |
| Epidermal growth factor receptor | IC50 | = | 127.5 | nM | 6.89 | Inhibition of EGFR (unknown origin) L858R mutant preincubated with compound 30 m... | 36384036 |
| Epidermal growth factor receptor | IC50 | = | 3358.0 | nM | 5.47 | Inhibition of EGFR (unknown origin) L858R/T790M mutant preincubated with compoun... | 36384036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36384036 | 10.1021/acs.jmedchem.2c01041 | Epidermal growth factor receptor | 7 |
Data from ChEMBL 36 via Core Engine