Compound Detail
CHEMBL5959742
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COc1cc(C2CCNCC2)ccc1Nc1ncc(C(F)(F)F)c(Nc2ccccc2NS(C)(=O)=O)n1
Basic Information
| ChEMBL ID | CHEMBL5959742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHEYEGYRLXRYEZ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
536.6
MW (Da)
4.83
ALogP
8
HBA
4
HBD
117.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.89 | 7.1475 | 13.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 13.0 | nM | 7.89 | Inhibitory Ability Assay: The composition of the assay buffer used in the activi... | - |
| Epidermal growth factor receptor | IC50 | = | 14.0 | nM | 7.85 | Inhibitory Ability Assay: The composition of the assay buffer used in the activi... | - |
| Epidermal growth factor receptor | IC50 | = | 33.0 | nM | 7.48 | Inhibitory Ability Assay: The composition of the assay buffer used in the activi... | - |
| Epidermal growth factor receptor | IC50 | = | 4300.0 | nM | 5.37 | Inhibitory Ability Assay: The composition of the assay buffer used in the activi... | - |
Data from ChEMBL 36 via Core Engine