Compound Detail
CHEMBL5954592
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Cc1ccc2c(c1)[nH]/c(=N\C(=O)c1ccnc(-c3ccccc3)c1)n2[C@H]1CC[C@@H](O)CC1
Basic Information
| ChEMBL ID | CHEMBL5954592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWYATQTVZFBUFU-OYRHEFFESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
4.56
ALogP
4
HBA
2
HBD
83.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.46 | 7.46 | 34.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 34.8 | nM | 7.46 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
Data from ChEMBL 36 via Core Engine