Compound Detail
CHEMBL5204446
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Basic Information
| ChEMBL ID | CHEMBL5204446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWRNJLCKNKEQNF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
3.19
ALogP
8
HBA
1
HBD
84.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.06 | 6.2467 | 87.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 87.6 | nM | 7.06 | Inhibition of EGFR (unknown origin) L858R mutant preincubated with compound 30 m... | 36384036 |
| Epidermal growth factor receptor | IC50 | = | 1121.0 | nM | 5.95 | Inhibition of EGFR (unknown origin) L858R/T790M mutant preincubated with compoun... | 36384036 |
| Epidermal growth factor receptor | IC50 | = | 1874.3 | nM | 5.73 | Inhibition of EGFR (unknown origin) Del19 mutant preincubated with compound 30 m... | 36384036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36384036 | 10.1021/acs.jmedchem.2c01041 | Epidermal growth factor receptor | 7 |
Data from ChEMBL 36 via Core Engine