Compound Detail
CHEMBL343887
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N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCN1CCN(C(=O)/C(C#N)=C/c2ccc(O)c(O)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL343887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUEAWOKXEQLRJW-AYKLPDECSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
503.5
MW (Da)
1.28
ALogP
9
HBA
5
HBD
181.2
PSA (Ų)
0.21
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.66 | 5.29 | 2200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of epidermal growth factor receptor (EGFR) phosphorylation of the exo... | 8960549 |
| Epidermal growth factor receptor | IC50 | = | 6200.0 | nM | 5.21 | Antiproliferative activity determined by measuring the ability to block [3H]- th... | 8960549 |
| Epidermal growth factor receptor | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory activity of compound against Epidermal growth factor receptor autopho... | 8960549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8960549 | 10.1021/jm960225d | Epidermal growth factor receptor | 3 |
Data from ChEMBL 36 via Core Engine