Compound Detail
CHEMBL5979912
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CC(C)(O)Cn1/c(=N/C(=O)c2ccnc(-c3cccnc3)c2)[nH]c2cc(C3CCCOC3)ccc21
Basic Information
| ChEMBL ID | CHEMBL5979912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMLRIBRBBXWARG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
3.83
ALogP
6
HBA
2
HBD
105.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.18 | 7.45 | 6.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 6.6 | nM | 8.18 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
| Epidermal growth factor receptor | IC50 | = | 189.0 | nM | 6.72 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
Data from ChEMBL 36 via Core Engine