Compound Detail
CHEMBL4444231
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Basic Information
| ChEMBL ID | CHEMBL4444231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHBOZNIUOZGNHA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
3.54
ALogP
4
HBA
2
HBD
83.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.76 | 6.06 | 173.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 173.0 | nM | 6.76 | Inhibition of GST-fusion tagged EGFR del19/T790M/C797S triple mutant (unknown or... | 31689114 |
| Epidermal growth factor receptor | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of phosphorylated EGFR del19/T790M/C797S triple mutant (unknown origi... | 31689114 |
| Epidermal growth factor receptor | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of GST-fusion tagged EGFR L858R/T790M/C797S triple mutant (unknown or... | 31689114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31689114 | 10.1021/acs.jmedchem.9b01169 | Epidermal growth factor receptor | 5 |
| 31689114 | 10.1021/acs.jmedchem.9b01169 | BaF3 | 1 |
| 31689114 | 10.1021/acs.jmedchem.9b01169 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine