Compound Detail
CHEMBL5199122
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CSc1nc(-c2cccc(NC(=O)c3c(F)ccc(O)c3CN3Cc4ccccc4C3=O)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5199122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSPSPBKQQQAFJU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
622.7
MW (Da)
6.07
ALogP
7
HBA
4
HBD
140.3
PSA (Ų)
0.15
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 280.0 | nM | 6.55 | Inhibition of human EGFR L858R mutant expressed in Sf9 insect cells in presence ... | 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