Compound Detail
CHEMBL5286532
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C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3c4n(c5ccccc35)CCOC4)n2)c(OC)cc1N(C)CCN(C)C
Basic Information
| ChEMBL ID | CHEMBL5286532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCNOQNVAMICQON-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
576.1
MW (Da)
5.16
ALogP
9
HBA
2
HBD
96.8
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.12 | 6.055 | 754.0 | 2 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.53 | 5.53 | 2969.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 754.0 | nM | 6.12 | Inhibition of mouse EGFR D770_N771insNPG mutant stably expressed in mouse BaF3 c... | 36423823 |
| Unchecked | IC50 | = | 1025.0 | nM | 5.99 | Inhibition of mouse EGFR V769_D770insASV mutant stably expressed in mouse BaF3 c... | 36423823 |
| Epidermal growth factor receptor | IC50 | = | 2969.0 | nM | 5.53 | Inhibition of EGR-induced EGFR phosphorylation in human A549 cells pretreated fo... | 36423823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36423823 | 10.1016/j.bmcl.2022.129084 | Unchecked | 2 |
| 36423823 | 10.1016/j.bmcl.2022.129084 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine