Compound Detail
CHEMBL5269375
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Basic Information
| ChEMBL ID | CHEMBL5269375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKOUWTODJFUNPG-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
3.93
ALogP
9
HBA
1
HBD
84.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.47
EC50 2 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.47 | 7.75 | 3.4 | 3 |
| BaF3 CHEMBL614524 | EC50 | 5.48 | 5.455 | 3341.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 3.4 | nM | 8.47 | Inhibition of EGFR L858R mutant (unknown origin) using TK-substrate preincubated... | 37197473 |
| Epidermal growth factor receptor | IC50 | = | 23.0 | nM | 7.64 | Inhibition of wild type EGFR (unknown origin) using TK-substrate preincubated wi... | 37197473 |
| Epidermal growth factor receptor | IC50 | = | 73.0 | nM | 7.14 | Inhibition of EGFR L858R/C797S mutant (unknown origin) using TK-substrate preinc... | 37197473 |
| BaF3 | EC50 | = | 3341.0 | nM | 5.48 | Cytotoxicity against mouse BaF3 cells expressing EGFR L858R mutant assessed as r... | 37197473 |
| BaF3 | EC50 | = | 3754.0 | nM | 5.43 | Cytotoxicity against mouse BaF3 cells expressing EGFR L858R/C797S mutant assesse... | 37197473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37197473 | 10.1021/acsmedchemlett.2c00514 | Epidermal growth factor receptor | 3 |
| 37197473 | 10.1021/acsmedchemlett.2c00514 | BaF3 | 2 |
Data from ChEMBL 36 via Core Engine