Compound Detail
CHEMBL6055515
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COc1ccncc1-c1cc(C(=O)/N=c2\[nH]c3cc(C4CCN(C(C)=O)CC4)ccc3n2CC(C)(C)O)ccn1
Basic Information
| ChEMBL ID | CHEMBL6055515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXIBTMBLEACAOZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
542.6
MW (Da)
3.67
ALogP
7
HBA
2
HBD
125.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.92 | 8.0333 | 1.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1.2 | nM | 8.92 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
| Epidermal growth factor receptor | IC50 | = | 3.0 | nM | 8.52 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
| Epidermal growth factor receptor | IC50 | = | 217.0 | nM | 6.66 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
Data from ChEMBL 36 via Core Engine