Compound Detail
CHEMBL5180830
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Basic Information
| ChEMBL ID | CHEMBL5180830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPJCQYLIQBFEHH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
4.73
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 52.0 | nM | 7.28 | Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) | 34323489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34323489 | 10.1021/acs.jmedchem.1c00876 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine