Compound Detail
CHEMBL5597724
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
COc1cc(N2CCOCC2)c(-c2cnn(C)c2)cc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
Basic Information
| ChEMBL ID | CHEMBL5597724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKTDBVXKCUWLIX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
585.1
MW (Da)
4.23
ALogP
11
HBA
3
HBD
135.5
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.2 | nM | 9.7 | Inhibition of EGFR Del19/T790M/C797S mutant (unknown origin) | 39143914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39143914 | 10.1021/acs.jmedchem.4c00361 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine