Compound Detail
CHEMBL5188250
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
CSc1nc(-c2cccc(NC(=O)c3cc(O)ccc3F)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5188250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEOPDLSNUIJOSR-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
477.5
MW (Da)
4.92
ALogP
6
HBA
4
HBD
120.0
PSA (Ų)
0.29
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.26 | 7.7625 | 5.5 | 4 |
| Unchecked CHEMBL612545 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| BaF3 CHEMBL614524 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 5.5 | nM | 8.26 | Inhibition of human EGFR L858R mutant expressed in Sf9 insect cells in presence ... | 34668706 |
| Epidermal growth factor receptor | IC50 | = | 6.2 | nM | 8.21 | Inhibition of wild type human EGFR expressed in Sf9 insect cells in presence of ... | 34668706 |
| Epidermal growth factor receptor | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human EGFR L858R/T790M/C797S mutant expressed in Sf9 insect cells ... | 34668706 |
| Unchecked | IC50 | = | 32.0 | nM | 7.5 | Inhibition of human EGFR L858R/T790M double mutant expressed in Sf9 insect cells... | 34668706 |
| Epidermal growth factor receptor | IC50 | = | 330.0 | nM | 6.48 | Displacement of sapitinib-BODIPY tracer from C-terminal NanoLuc-fused full lengt... | 34668706 |
| BaF3 | IC50 | = | 800.0 | nM | 6.1 | Antiproliferative activity against mouse BaF3 cells expressing wild type EGFR in... | 34668706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34668706 | 10.1021/acs.jmedchem.1c00848 | BaF3 | 8 |
| 34668706 | 10.1021/acs.jmedchem.1c00848 | Epidermal growth factor receptor | 4 |
| 34668706 | 10.1021/acs.jmedchem.1c00848 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine