Compound Detail
CHEMBL5206683
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CCOc1cc(N2CCC(N3CCN(C)CC3)CC2)c(Cl)cc1Nc1ncc(Cl)c(-c2cn(S(=O)(=O)CC)c3ccccc23)n1
Basic Information
| ChEMBL ID | CHEMBL5206683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLGREYLWZUTSOT-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
672.7
MW (Da)
5.96
ALogP
10
HBA
1
HBD
95.8
PSA (Ų)
0.23
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.38 | 7.72 | 4.2 | 4 |
| BaF3 CHEMBL614524 | IC50 | 5.5 | 5.305 | 3150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 4.2 | nM | 8.38 | Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin) by ELISA | 35446588 |
| Epidermal growth factor receptor | IC50 | = | 7.5 | nM | 8.12 | Inhibition of EGFR L858R/T790M mutant (unknown origin) by ELISA | 35446588 |
| Epidermal growth factor receptor | IC50 | = | 12.0 | nM | 7.92 | Inhibition of EGFR 19 del/T790M/C797S mutant (unknown origin) by ELISA | 35446588 |
| Epidermal growth factor receptor | IC50 | = | 343.7 | nM | 6.46 | Inhibition of wild type EGFR (unknown origin) by ELISA | 35446588 |
| BaF3 | IC50 | = | 3150.0 | nM | 5.5 | Antiproliferative activity against mouse BaF3 cells stably expressing EGFR L858R... | 35446588 |
| BaF3 | IC50 | = | 7860.0 | nM | 5.11 | Cytotoxicity against mouse IL-3 dependent BaF3 cells assessed as inhibition of c... | 35446588 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35446588 | 10.1021/acs.jmedchem.2c00168 | Epidermal growth factor receptor | 4 |
| 35446588 | 10.1021/acs.jmedchem.2c00168 | BaF3 | 2 |
Data from ChEMBL 36 via Core Engine