Compound Detail
CHEMBL4760864
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O=C(Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1)c1cccc(C(F)(F)F)c1F
Basic Information
| ChEMBL ID | CHEMBL4760864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXVFBDACKZRBFJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
622.0
MW (Da)
6.68
ALogP
7
HBA
2
HBD
88.6
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 30.0 | nM | 7.52 | Inhibition of recombinant human N-terminal GST tagged EGFR (669 to 1210 residues... | 29523467 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29523467 | 10.1016/j.bmc.2018.02.022 | A-431 | 1 |
| 29523467 | 10.1016/j.bmc.2018.02.022 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine