Compound Detail
CHEMBL6025269
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O=C(/N=c1\[nH]c2ccccc2n1[C@H]1CC[C@@H](O)CC1)c1ccnc(-c2cnn3c2OCC(F)(F)C3)c1
Basic Information
| ChEMBL ID | CHEMBL6025269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLPPAUPIILTSOC-CALCHBBNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
494.5
MW (Da)
3.47
ALogP
7
HBA
2
HBD
110.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.64 | 7.5 | 2.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 2.3 | nM | 8.64 | Biochemical EGFR Inhibition Assays (5 mM ATP): 5 μL of EGFR enzyme form in assay... | - |
| Epidermal growth factor receptor | IC50 | = | 439.0 | nM | 6.36 | Biochemical EGFR Inhibition Assays (5 mM ATP): 5 μL of EGFR enzyme form in assay... | - |
Data from ChEMBL 36 via Core Engine