Compound Detail
CHEMBL2426278
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C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)c(OC)cc1N1CCN(C)CC1
Basic Information
| ChEMBL ID | CHEMBL2426278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXHOCHWKUSXBGX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
518.0
MW (Da)
4.91
ALogP
7
HBA
3
HBD
98.4
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.25 | 7.3333 | 5.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 5.6 | nM | 8.25 | Inhibition of EGFR L858R/T790M double mutant phosphorylation in human NCI-H1975 ... | 23930994 |
| Epidermal growth factor receptor | IC50 | = | 23.0 | nM | 7.64 | Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human P... | 23930994 |
| Epidermal growth factor receptor | IC50 | = | 770.0 | nM | 6.11 | Inhibition of wild type EGFR phosphorylation in human LoVo cells after 2 hrs by ... | 23930994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23930994 | 10.1021/jm400822z | Epidermal growth factor receptor | 3 |
| 23930994 | 10.1021/jm400822z | No relevant target | 1 |
| 23930994 | 10.1021/jm400822z | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine