Compound Detail
CHEMBL5911542
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COCCCNc1ccc2c(c1)[nH]/c(=N\C(=O)c1ccnc(-c3cccnc3)c1)n2CC(C)(C)O
Basic Information
| ChEMBL ID | CHEMBL5911542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDQZBPDQDODNLV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
3.39
ALogP
7
HBA
3
HBD
117.4
PSA (Ų)
0.32
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.02 | 5.85 | 95.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 95.2 | nM | 7.02 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
| Epidermal growth factor receptor | IC50 | = | 21072.0 | nM | 4.68 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
Data from ChEMBL 36 via Core Engine