Compound Detail
CHEMBL4642177
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Basic Information
| ChEMBL ID | CHEMBL4642177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBEJJFJTFKBHKP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
4.40
ALogP
6
HBA
4
HBD
112.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.68 | 6.43 | 208.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 208.0 | nM | 6.68 | Inhibition of EGFR L858R/T790M mutant (unknown origin) by ELISA | 32631532 |
| Epidermal growth factor receptor | IC50 | = | 663.4 | nM | 6.18 | Inhibition of EGFR 19D/T790M/C797S mutant (unknown origin) by ELISA | 32631532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32631532 | 10.1016/j.bmcl.2020.127327 | Epidermal growth factor receptor | 4 |
Data from ChEMBL 36 via Core Engine