Compound Detail
CHEMBL6021978
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CN(C)Cc1cccc(-c2cc(C(=O)/N=c3\[nH]c4ccccc4n3[C@H]3CC[C@@H](O)CC3)ccn2)c1
Basic Information
| ChEMBL ID | CHEMBL6021978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNHAKFSEAJWLKD-ZRZAMGCNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
4.31
ALogP
5
HBA
2
HBD
86.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.73 | 6.455 | 18.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 18.6 | nM | 7.73 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
| Epidermal growth factor receptor | IC50 | = | 6654.0 | nM | 5.18 | Biochemical EGFR Inhibition Assays (100 mM ATP): 5 μL of EGFR enzyme form in ass... | - |
Data from ChEMBL 36 via Core Engine