Compound Detail
CHEMBL6043073
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Cn1cc(-c2cc(C(=O)/N=c3\[nH]c4ccccc4n3[C@H]3CC[C@@H](O)CC3)cc(C#N)n2)cn1
Basic Information
| ChEMBL ID | CHEMBL6043073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGRJCIGPCWCZCT-KDURUIRLSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
2.85
ALogP
7
HBA
2
HBD
124.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.7 | 8.13 | 0.2 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.2 | nM | 9.7 | Biochemical EGFR Inhibition Assays (5 mM ATP): 5 μL of EGFR enzyme form in assay... | - |
| Epidermal growth factor receptor | IC50 | = | 0.8 | nM | 9.1 | Biochemical EGFR Inhibition Assays (5 mM ATP): 5 μL of EGFR enzyme form in assay... | - |
| Epidermal growth factor receptor | IC50 | = | 0.8 | nM | 9.1 | Biochemical EGFR Inhibition Assays (5 mM ATP): 5 μL of EGFR enzyme form in assay... | - |
| Epidermal growth factor receptor | IC50 | = | 31.6 | nM | 7.5 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
| Epidermal growth factor receptor | IC50 | = | 164.0 | nM | 6.79 | Biochemical EGFR Inhibition Assays (5 mM ATP): 5 μL of EGFR enzyme form in assay... | - |
| Epidermal growth factor receptor | IC50 | = | 256.0 | nM | 6.59 | Biochemical EGFR Inhibition Assays (5 mM ATP): 5 μL of EGFR enzyme form in assay... | - |
Data from ChEMBL 36 via Core Engine