Compound Detail
CHEMBL4207984
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Basic Information
| ChEMBL ID | CHEMBL4207984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPTUCHARDQHTEK-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
3.88
ALogP
6
HBA
2
HBD
94.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.75 | 6.8325 | 17.9 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 17.9 | nM | 7.75 | Inhibition of human EGFR del19/T790M/C797S mutant assessed as enzyme remaining a... | 33243531 |
| Epidermal growth factor receptor | IC50 | = | 23.0 | nM | 7.64 | Inhibition of recombinant human EGFR d746-750/T790M/C797S mutant using poly-Glu-... | 29136465 |
| Epidermal growth factor receptor | IC50 | = | 23.0 | nM | 7.64 | Inhibition of EGFR Del19/T790M/C797S triple mutant (unknown origin) | 34323489 |
| Epidermal growth factor receptor | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of wild type EGFR (unknown origin) | 34323489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29136465 | 10.1021/acs.jmedchem.7b01310 | 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 |
| 36417820 | 10.1016/j.ejmech.2022.114900 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine