Compound Detail
CHEMBL4575583
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C=CC(=O)Nc1ccc(OC)c(Nc2cc(-c3nc(SC)n(C)c3-c3ccc(F)cc3)ccn2)c1
Basic Information
| ChEMBL ID | CHEMBL4575583 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQCWFSKUCZHFLZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
5.89
ALogP
7
HBA
2
HBD
81.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human EGFR L858R/T790M mutant using poly[Glu:Tyr] (4:1) as substra... | 32243152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32243152 | 10.1021/acs.jmedchem.0c00200 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine