Compound Detail
CHEMBL52015
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Basic Information
| ChEMBL ID | CHEMBL52015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNMOXMJDRLQWOW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
343.2
MW (Da)
4.20
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.08 | 7.0767 | 84.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 84.0 | nM | 7.08 | Tested for inhibition of PLC gamma-derived substrate in Epidermal growth factor ... | 9191958 |
| Epidermal growth factor receptor | IC50 | = | 84.0 | nM | 7.08 | Concentration required to inhibit the phosphorylation of a 14-residue fragment o... | 8568816 |
| Epidermal growth factor receptor | IC50 | = | 85.11 | nM | 7.07 | Inhibition of EGFR | 18271520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9191958 | 10.1021/jm960879m | Epidermal growth factor receptor | 1 |
| 8568816 | 10.1021/jm9503613 | Epidermal growth factor receptor | 1 |
| 18271520 | 10.1021/jm070654j | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine