Compound Detail
CHEMBL5193027
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Basic Information
| ChEMBL ID | CHEMBL5193027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRSCCESMUDSCTN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
5.63
ALogP
4
HBA
2
HBD
78.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| BaF3 CHEMBL614524 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 15.0 | nM | 7.82 | Inhibition of EGFR L858R/T790M double mutant (unknown origin) | 34323489 |
| BaF3 | IC50 | = | 900.0 | nM | 6.05 | Antiproliferative activity against mouse BaF3 cells stably transfected with EGFR... | 33243531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34323489 | 10.1021/acs.jmedchem.1c00876 | Epidermal growth factor receptor | 1 |
| 33243531 | 10.1016/j.ejmech.2020.112995 | BaF3 | 1 |
Data from ChEMBL 36 via Core Engine