Compound Detail
CHEMBL3678960
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Basic Information
| ChEMBL ID | CHEMBL3678960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJFSEEWSSQIOAL-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
5.02
ALogP
7
HBA
3
HBD
96.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.22 | 8.45 | 0.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.6 | nM | 9.22 | Inhibition Assay: The object of this assay was to test the inventive compounds f... | - |
| Epidermal growth factor receptor | IC50 | = | 2.0 | nM | 8.7 | Inhibition Assay: The object of this assay was to test the inventive compounds f... | - |
| Epidermal growth factor receptor | IC50 | = | 37.0 | nM | 7.43 | Inhibition Assay: The object of this assay was to test the inventive compounds f... | - |
Data from ChEMBL 36 via Core Engine