Compound Detail
CHEMBL357161
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N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCC1CCCC(CNC(=O)/C(C#N)=C/c2ccc(O)c(O)c2)C1
Basic Information
| ChEMBL ID | CHEMBL357161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YESNFWRNMLAXJB-VGENTYGXSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
516.5
MW (Da)
3.06
ALogP
8
HBA
6
HBD
186.7
PSA (Ų)
0.18
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.75 | 5.325 | 1800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of epidermal growth factor receptor (EGFR) phosphorylation of the exo... | 8960549 |
| Epidermal growth factor receptor | IC50 | = | 12500.0 | nM | 4.9 | Antiproliferative activity determined by measuring the ability to block [3H]- th... | 8960549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8960549 | 10.1021/jm960225d | Epidermal growth factor receptor | 3 |
Data from ChEMBL 36 via Core Engine