Compound Detail
CHEMBL5290095
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C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2O[C@@H](C)CCCCCC)CC1
Basic Information
| ChEMBL ID | CHEMBL5290095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POLJDEHXEQVMMM-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
589.5
MW (Da)
8.11
ALogP
6
HBA
1
HBD
76.6
PSA (Ų)
0.13
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.64 | 6.64 | 227.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 227.0 | nM | 6.64 | Inhibition of EGFR D770-N771 ins NPG mutant (unknown origin) | 36804726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36804726 | 10.1016/j.bmc.2023.117202 | Epidermal growth factor receptor | 3 |
Data from ChEMBL 36 via Core Engine