Compound Detail
CHEMBL4533742
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CCC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC)cc1N(C)CCN(C)C
Basic Information
| ChEMBL ID | CHEMBL4533742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBTAKNXWIBLHGT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
604.2
MW (Da)
5.15
ALogP
10
HBA
3
HBD
128.8
PSA (Ų)
0.24
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | EC50 | 6.18 | 6.095 | 666.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | EC50 | = | 666.0 | nM | 6.18 | Inhibition of EGFR L858R mutant (unknown origin) transfected in mouse BAF3 cells... | 28528303 |
| Epidermal growth factor receptor | EC50 | = | 972.0 | nM | 6.01 | Inhibition of EGFR T790M/L858R double mutant (unknown origin) transfected in mou... | 28528303 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28528303 | 10.1016/j.ejmech.2017.04.079 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine