Compound Detail
CHEMBL5090133
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Basic Information
| ChEMBL ID | CHEMBL5090133 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKWUBSRHDSQYQT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
3.77
ALogP
10
HBA
3
HBD
112.5
PSA (Ų)
0.22
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.12 | 5.12 | 7513.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 7513.0 | nM | 5.12 | Inhibition of wild type EGFR (unknown origin) using flurogenic substrate in pres... | 34794818 |
| Epidermal growth factor receptor | IC50 | = | 7513.0 | nM | 5.12 | Inhibition of wild-type EGFR (unknown origin) | 38879996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34794818 | 10.1016/j.ejmech.2021.113984 | Epidermal growth factor receptor | 3 |
| 38879996 | 10.1016/j.bmc.2024.117796 | Epidermal growth factor receptor | 2 |
| 34794818 | 10.1016/j.ejmech.2021.113984 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine