Compound Detail
CHEMBL5207462
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CN1CCN(c2ccc(-c3ccc4c(=O)n(C(C(=O)Nc5nccs5)c5ccccc5)ncc4c3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5207462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVVARPLRXXXQBS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
536.7
MW (Da)
4.50
ALogP
8
HBA
1
HBD
83.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.75 | 7.75 | 17.8 | 1 |
| BaF3 CHEMBL614524 | IC50 | 5.78 | 5.62 | 1670.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 17.8 | nM | 7.75 | Inhibition of his-GST tagged human EGFR L858R/T790M double mutant expressed in i... | 35378251 |
| BaF3 | IC50 | = | 1670.0 | nM | 5.78 | Antiproliferative activity against mouse BaF3 cells harboring EGFR L858R/T790M d... | 35378251 |
| BaF3 | IC50 | = | 3460.0 | nM | 5.46 | Antiproliferative activity against mouse BaF3 cells harboring EGFR L858R/T790M d... | 35378251 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35378251 | 10.1016/j.bmcl.2022.128718 | BaF3 | 2 |
| 35378251 | 10.1016/j.bmcl.2022.128718 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine