Compound Detail
CHEMBL2283251
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Basic Information
| ChEMBL ID | CHEMBL2283251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXXUTJMRWNVAON-RMKNXTFCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
259.2
MW (Da)
3.62
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.38 | 5.38 | 4140.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.93 | 4.93 | 11690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 4140.0 | nM | 5.38 | Antiproliferative activity against Homo sapiens (human) MCF-7 cells overexpressi... | - |
| Epidermal growth factor receptor | IC50 | = | 11690.0 | nM | 4.93 | 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