Compound Detail
CHEMBL4218431
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Basic Information
| ChEMBL ID | CHEMBL4218431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDODJLGZFKWWCO-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
3.28
ALogP
7
HBA
2
HBD
107.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.77 | 7.3667 | 17.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 17.0 | nM | 7.77 | Inhibition of recombinant human EGFR d746-750/T790M/C797S mutant using poly-Glu-... | 29136465 |
| Epidermal growth factor receptor | IC50 | = | 17.0 | nM | 7.77 | Inhibition of human EGFR del19/T790M/C797S mutant assessed as enzyme remaining a... | 33243531 |
| Epidermal growth factor receptor | IC50 | = | 17.9 | nM | 7.75 | Inhibition of EGFR Del19/T790M/C797S triple mutant (unknown origin) | 34323489 |
| Epidermal growth factor receptor | IC50 | = | 38.7 | nM | 7.41 | Inhibition of human C-terminal His-tagged and N-terminal GST-tagged EGFR L858R/T... | 31298540 |
| Epidermal growth factor receptor | IC50 | = | 85.2 | nM | 7.07 | Inhibition of recombinant human C-terminal His-tagged/N-terminal GST-tagged EGFR... | 30429956 |
| Epidermal growth factor receptor | IC50 | = | 367.1 | nM | 6.43 | Inhibition of recombinant human EGFR T790M/L858R double mutant using poly (Glu,T... | 30429956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29136465 | 10.1021/acs.jmedchem.7b01310 | Epidermal growth factor receptor | 2 |
| 30429956 | 10.1021/acsmedchemlett.8b00373 | Epidermal growth factor receptor | 2 |
| 31298540 | 10.1021/acs.jmedchem.9b00576 | Epidermal growth factor receptor | 2 |
| 34323489 | 10.1021/acs.jmedchem.1c00876 | Epidermal growth factor receptor | 2 |
| 33243531 | 10.1016/j.ejmech.2020.112995 | Epidermal growth factor receptor | 2 |
| 29136465 | 10.1021/acs.jmedchem.7b01310 | Unchecked | 1 |
| 34323489 | 10.1021/acs.jmedchem.1c00876 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine