Compound Detail
CHEMBL5994478
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CN1CCC(c2ccc3c(c2)[nH]/c(=N\C(=O)c2ccnc(-c4cnn5cccnc45)c2)n3CC(C)(C)O)CC1
Basic Information
| ChEMBL ID | CHEMBL5994478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEVLWBNAYZFMNY-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
3.40
ALogP
8
HBA
2
HBD
116.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.22 | 8.06 | 0.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.6 | nM | 9.22 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
| Epidermal growth factor receptor | IC50 | = | 3.0 | nM | 8.52 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
| Epidermal growth factor receptor | IC50 | = | 366.0 | nM | 6.44 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
Data from ChEMBL 36 via Core Engine