Compound Detail
CHEMBL5195321
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Basic Information
| ChEMBL ID | CHEMBL5195321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWCBRVQDHYFJEF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
3.98
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.28 | 6.1133 | 53.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 53.0 | nM | 7.28 | Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) | 34323489 |
| Epidermal growth factor receptor | IC50 | = | 1623.0 | nM | 5.79 | Inhibition of wild type EGFR (unknown origin) | 34323489 |
| Epidermal growth factor receptor | IC50 | = | 5420.0 | nM | 5.27 | Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) expressed in... | 34323489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34323489 | 10.1021/acs.jmedchem.1c00876 | Epidermal growth factor receptor | 3 |
Data from ChEMBL 36 via Core Engine