Compound Detail
CHEMBL5181684
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CCc1cc(N2CCOCC2)c2cc1Nc1ncc(Cl)c(n1)-c1cn(S(=O)(=O)CC)c3cc(ccc13)OCCCCCCO2
Basic Information
| ChEMBL ID | CHEMBL5181684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAGBHQBJWXBUED-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
640.2
MW (Da)
6.42
ALogP
10
HBA
1
HBD
107.8
PSA (Ų)
0.27
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.49 | 7.49 | 32.1 | 1 |
| BaF3 CHEMBL614524 | IC50 | 6.85 | 6.09 | 142.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 32.1 | nM | 7.49 | Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin) by ELISA | 35446588 |
| BaF3 | IC50 | = | 142.0 | nM | 6.85 | Antiproliferative activity against mouse BaF3 cells stably expressing EGFR L858R... | 35446588 |
| BaF3 | IC50 | = | 4643.0 | nM | 5.33 | 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 | 2 |
| 35446588 | 10.1021/acs.jmedchem.2c00168 | BaF3 | 2 |
Data from ChEMBL 36 via Core Engine