Compound Detail
CHEMBL6056421
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CC(=O)N1CCC(c2ccc3c(c2)[nH]/c(=N\C(=O)c2ccnc(-c4cnn(C)c4C)c2)n3CC(C)(C)O)CC1
Basic Information
| ChEMBL ID | CHEMBL6056421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNIUAFLGBIBCIS-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
529.6
MW (Da)
3.31
ALogP
7
HBA
2
HBD
121.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.36 | 7.2533 | 4.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 4.4 | nM | 8.36 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
| Epidermal growth factor receptor | IC50 | = | 34.5 | nM | 7.46 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
| Epidermal growth factor receptor | IC50 | = | 1147.0 | nM | 5.94 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
Data from ChEMBL 36 via Core Engine