Compound Detail
CHEMBL5208312
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5208312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBIAOFSWATWTTA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
417.9
MW (Da)
5.51
ALogP
6
HBA
1
HBD
65.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.63 | 5.85 | 235.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 235.5 | nM | 6.63 | Inhibition of EGFR (unknown origin) Del19 mutant preincubated with compound 30 m... | 36384036 |
| Epidermal growth factor receptor | IC50 | = | 655.1 | nM | 6.18 | Inhibition of EGFR (unknown origin) L858R mutant preincubated with compound 30 m... | 36384036 |
| Epidermal growth factor receptor | IC50 | = | 18066.7 | nM | 4.74 | Inhibition of EGFR (unknown origin) L858R/T790M mutant preincubated with compoun... | 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