Compound Detail
CHEMBL5932830
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COc1ccccc1-c1cc(C(=O)/N=c2\[nH]c3cc(C)ccc3n2[C@H]2CC[C@@H](O)CC2)ccn1
Basic Information
| ChEMBL ID | CHEMBL5932830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQGGOPLGEZRTQT-BGYRXZFFSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
4.57
ALogP
5
HBA
2
HBD
92.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.3 | 7.88 | 0.5 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.5 | nM | 9.3 | Biochemical EGFR Inhibition Assays (5 mM ATP): 5 μL of EGFR enzyme form in assay... | - |
| Epidermal growth factor receptor | IC50 | = | 8.8 | nM | 8.06 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
| Epidermal growth factor receptor | IC50 | = | 12.5 | nM | 7.9 | Biochemical EGFR Inhibition Assays (5 mM ATP): 5 μL of EGFR enzyme form in assay... | - |
| Epidermal growth factor receptor | IC50 | = | 549.0 | nM | 6.26 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
Data from ChEMBL 36 via Core Engine