Compound Detail
CHEMBL5218780
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccnc4c3CC(c3ccccc3)N4)[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL5218780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZHKEGOROQPSFP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
6.36
ALogP
4
HBA
3
HBD
73.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.31 | 6.675 | 49.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 49.2 | nM | 7.31 | Inhibition of wild type EGFR (unknown origin) | 33243531 |
| Epidermal growth factor receptor | IC50 | = | 916.0 | nM | 6.04 | Inhibition of EGFR L858R/T790M mutant (unknown origin) | 33243531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33243531 | 10.1016/j.ejmech.2020.112995 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine