Compound Detail
CHEMBL3814460
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O=C(NCCN1CCOCC1)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Basic Information
| ChEMBL ID | CHEMBL3814460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXVQPXNSHGAJCM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
551.0
MW (Da)
5.20
ALogP
7
HBA
3
HBD
100.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.59 | 6.59 | 259.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 259.0 | nM | 6.59 | Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells ass... | 27288180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27288180 | 10.1016/j.bmc.2016.05.063 | Epidermal growth factor receptor | 3 |
Data from ChEMBL 36 via Core Engine