Compound Detail
CHEMBL3678946
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Basic Information
| ChEMBL ID | CHEMBL3678946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXJYGGNAOIGUCL-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
4.72
ALogP
8
HBA
3
HBD
100.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.4 | 8.8733 | 0.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.4 | nM | 9.4 | Inhibition Assay: The object of this assay was to test the inventive compounds f... | - |
| Epidermal growth factor receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition Assay: The object of this assay was to test the inventive compounds f... | - |
| Epidermal growth factor receptor | IC50 | = | 6.0 | nM | 8.22 | Inhibition Assay: The object of this assay was to test the inventive compounds f... | - |
Data from ChEMBL 36 via Core Engine