Compound Detail
CHEMBL5994405
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CN1CCC(c2ccc3c(c2)[nH]/c(=N\C(=O)c2ccnc(-c4cccnc4)c2)n3C2CCCC2)CC1
Basic Information
| ChEMBL ID | CHEMBL5994405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKUFIGKDUOXFCR-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
5.09
ALogP
5
HBA
1
HBD
79.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.6 | 7.1033 | 2.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 2.5 | nM | 8.6 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
| Epidermal growth factor receptor | IC50 | = | 27.7 | nM | 7.56 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
| Epidermal growth factor receptor | IC50 | = | 7063.0 | nM | 5.15 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
Data from ChEMBL 36 via Core Engine