Compound Detail
CHEMBL2426283
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Basic Information
| ChEMBL ID | CHEMBL2426283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIDQBJIUUMDHMC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
389.9
MW (Da)
5.15
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.89 | 4.805 | 12900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 320.0 | nM | 6.5 | Inhibition of human recombinant N-terminal GST-tagged EGFR L858R/T970M double mu... | 23930994 |
| Epidermal growth factor receptor | IC50 | = | 12900.0 | nM | 4.89 | Inhibition of EGFR L858R/T790M double mutant phosphorylation in human NCI-H1975 ... | 23930994 |
| Epidermal growth factor receptor | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human P... | 23930994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23930994 | 10.1021/jm400822z | Epidermal growth factor receptor | 3 |
| 23930994 | 10.1021/jm400822z | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine