Compound Detail
CHEMBL423224
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Basic Information
| ChEMBL ID | CHEMBL423224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHRKNNUUCCNFPI-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
339.2
MW (Da)
4.57
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.51 | 7.0733 | 31.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 31.0 | nM | 7.51 | Concentration needed to inhibit the phosphorylation of a 14-residue fragment of ... | 10639288 |
| Epidermal growth factor receptor | IC50 | = | 31.0 | nM | 7.51 | Inhibition of EGFR in human A-431 cell membrane vesicles using phospholipase C-g... | 34864496 |
| Epidermal growth factor receptor | IC50 | = | 630.0 | nM | 6.2 | Inhibition of Epidermal growth factor receptor autophosphorylation in A431 cells | 10639288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10639288 | 10.1021/jm9903949 | Epidermal growth factor receptor | 2 |
| 34864496 | 10.1016/j.bmc.2021.116534 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine