Compound Detail
CHEMBL2283248
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Basic Information
| ChEMBL ID | CHEMBL2283248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUGIHGCVLHPREZ-OUKQBFOZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
3.74
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.61 | 5.61 | 2430.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.03 | 5.03 | 9350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 2430.0 | nM | 5.61 | Antiproliferative activity against Homo sapiens (human) MCF-7 cells overexpressi... | - |
| Epidermal growth factor receptor | IC50 | = | 9350.0 | nM | 5.03 | Inhibition of autophosphorylation of His6-tagged EGFR cytoplasmic domain (unknow... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0093-z | Epidermal growth factor receptor | 1 |
| - | 10.1007/s00044-012-0093-z | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine