Compound Detail
CHEMBL5207083
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COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(-c2cn(C(C)=O)c3ccccc23)n1
Basic Information
| ChEMBL ID | CHEMBL5207083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOSZYUQTMJDLIF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
574.1
MW (Da)
5.38
ALogP
9
HBA
1
HBD
78.8
PSA (Ų)
0.33
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.07 | 7.69 | 8.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 8.5 | nM | 8.07 | Inhibition of EGFR 19 del/T790M/C797S mutant (unknown origin) by ELISA | 35446588 |
| Epidermal growth factor receptor | IC50 | = | 12.9 | nM | 7.89 | Inhibition of EGFR L858R/T790M mutant (unknown origin) by ELISA | 35446588 |
| Epidermal growth factor receptor | IC50 | = | 77.8 | nM | 7.11 | Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin) by ELISA | 35446588 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35446588 | 10.1021/acs.jmedchem.2c00168 | Epidermal growth factor receptor | 4 |
Data from ChEMBL 36 via Core Engine