Compound Detail
CHEMBL603266
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Basic Information
| ChEMBL ID | CHEMBL603266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEJKUBDGAQQSNP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
456.3
MW (Da)
4.00
ALogP
7
HBA
2
HBD
88.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.44 | 9.44 | 0.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.36 | nM | 9.44 | Inhibition of human recombinant EGFR expressed in insect cells by time-resolved ... | 20151670 |
| Epidermal growth factor receptor | IC50 | = | 0.36 | nM | 9.44 | Inhibition of EGFR (unknown origin) | 33771586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20151670 | 10.1021/jm901558p | Epidermal growth factor receptor | 5 |
| 33771586 | 10.1016/j.bmcl.2021.127987 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine