Compound Detail
CHEMBL77085
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Basic Information
| ChEMBL ID | CHEMBL77085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYBMSHSKPVIZPW-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
215.2
MW (Da)
1.73
ALogP
5
HBA
1
HBD
111.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.02
Ki 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | Ki | 4.62 | 4.62 | 24000.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.02 | 4.02 | 96000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | Ki | = | 24000.0 | nM | 4.62 | Inhibitory concentration of EGF dependent autophosphorylation of epidermal growt... | 2552117 |
| Epidermal growth factor receptor | IC50 | = | 96000.0 | nM | 4.02 | Inhibitory concentration of EGF dependent autophosphorylation of epidermal growt... | 2552117 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2552117 | 10.1021/jm00130a020 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine