Compound Detail
CHEMBL5269317
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Basic Information
| ChEMBL ID | CHEMBL5269317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJXDTLCWUFYVIB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
5.94
ALogP
6
HBA
1
HBD
72.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.33 | 8.705 | 0.5 | 2 |
| BaF3 CHEMBL614524 | IC50 | 7.29 | 6.67 | 51.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.47 | nM | 9.33 | Inhibition of EGFR d746-750/T790M double mutant (unknown origin) | 36064123 |
| Epidermal growth factor receptor | IC50 | = | 8.31 | nM | 8.08 | Inhibition of EGFR L858R/T790M double mutant (unknown origin) | 36064123 |
| BaF3 | IC50 | = | 51.0 | nM | 7.29 | Antiproliferative activity against mouse BaF3 cells harboring EGFR del19/T790M d... | 36064123 |
| BaF3 | IC50 | = | 893.0 | nM | 6.05 | Antiproliferative activity against mouse BaF3 cells harboring EGFR del19/T790M/C... | 36064123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36064123 | 10.1016/j.bmcl.2022.128970 | Epidermal growth factor receptor | 3 |
| 36064123 | 10.1016/j.bmcl.2022.128970 | BaF3 | 2 |
Data from ChEMBL 36 via Core Engine