Compound Detail
CHEMBL2426378
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc(NC(=O)/C=C/CN(C)C)cc1Nc1ncc([S+](C)[O-])c(-c2cnn3ccccc23)n1
Basic Information
| ChEMBL ID | CHEMBL2426378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WALUXXPDOYDGOU-VQHVLOKHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
3.34
ALogP
9
HBA
2
HBD
119.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.89 | 5.355 | 1300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human P... | 23930994 |
| Epidermal growth factor receptor | IC50 | = | 15200.0 | nM | 4.82 | Inhibition of EGFR L858R/T790M double mutant phosphorylation in human NCI-H1975 ... | 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