Compound Detail
CHEMBL5183286
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)c3c(F)ccc(O)c3CN3C(=O)c4ccccc4C3=O)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5183286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPMLKUVOVSVMID-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
636.7
MW (Da)
5.71
ALogP
8
HBA
4
HBD
157.4
PSA (Ų)
0.12
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.92
EC50 1 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.92 | 8.21 | 1.2 | 2 |
| Epidermal growth factor receptor CHEMBL203 | EC50 | 8.24 | 8.24 | 5.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1.2 | nM | 8.92 | Inhibition of human EGFR L858R mutant expressed in Sf9 insect cells in presence ... | 34668706 |
| Epidermal growth factor receptor | EC50 | = | 5.8 | nM | 8.24 | Inhibition of wild type human EGFR expressed in Sf9 insect cells in presence of ... | 34668706 |
| Epidermal growth factor receptor | IC50 | = | 32.0 | nM | 7.5 | Inhibition of human EGFR L858R/T790M/C797S mutant expressed in Sf9 insect cells ... | 34668706 |
| Unchecked | IC50 | = | 51.0 | nM | 7.29 | Inhibition of human EGFR L858R/T790M double mutant expressed in Sf9 insect cells... | 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 | 5 |
| 34668706 | 10.1021/acs.jmedchem.1c00848 | Unchecked | 1 |
| 34668706 | 10.1021/acs.jmedchem.1c00848 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine